[ CAS No. 112-13-0 ] {[proInfo.proName]}

Name: 112-13-0|Decanoylchloride|98%
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Quality Control of [ 112-13-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 112-13-0 ]

Product Details of [ 112-13-0 ]

CAS No. :	112-13-0	MDL No. :	MFCD00000771
Formula :	C₁₀H₁₉ClO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IPIVAXLHTVNRBS-UHFFFAOYSA-N
M.W :	190.71	Pubchem ID :	66982
Synonyms :		Chemical Name :	Decanoylchloride

Calculated chemistry of [ 112-13-0 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.9
Num. rotatable bonds :	8
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	55.18
TPSA :	17.07 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.86 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.09
Log Po/w (XLOGP3) :	5.07
Log Po/w (WLOGP) :	3.89
Log Po/w (MLOGP) :	2.99
Log Po/w (SILICOS-IT) :	3.75
Consensus Log Po/w :	3.76

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.69
Solubility :	0.0391 mg/ml ; 0.000205 mol/l
Class :	Soluble
Log S (Ali) :	-5.17
Solubility :	0.00129 mg/ml ; 0.00000675 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-4.07
Solubility :	0.0161 mg/ml ; 0.0000845 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	2.2

Safety of [ 112-13-0 ]

Signal Word:	Danger	Class:	8
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	3265
Hazard Statements:	H314	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 112-13-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 112-13-0 ]
Downstream synthetic route of [ 112-13-0 ]

[ 112-13-0 ] Synthesis Path-Upstream 1~4

1
[ 112-13-0 ]
[ 59454-35-2 ]

Reference： [1] Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 1187 - 1191[2] Zhurnal Organicheskoi Khimii, 1984, vol. 20, # 6, p. 1305 - 1310

2
[ 112-13-0 ]
[ 37529-30-9 ]

Reference： [1] Technology Reports of Kansai University, 1959, # 1, p. 41,43, 44
[2] Molecular Crystals and Liquid Crystals, 2009, vol. 509, # 1, p. 283 - 291

3
[ 58-22-0 ]
[ 112-13-0 ]
[ 5721-91-5 ]

Reference： [1] Collection of Czechoslovak Chemical Communications, 1998, vol. 63, # 10, p. 1528 - 1542

4
[ 112-13-0 ]
[ 106418-67-1 ]

Reference： [1] Molecular Crystals and Liquid Crystals, 2003, vol. 396, p. 241 - 250
[2] Journal of Materials Chemistry, 2003, vol. 13, # 1, p. 50 - 55
[3] Macromolecules, 2010, vol. 43, # 19, p. 8063 - 8070
[4] Bulletin of the Korean Chemical Society, 2012, vol. 33, # 2, p. 541 - 548
[5] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 24, p. 7763 - 7778

[ 112-13-0 ] Synthesis Path-Downstream 1~88

1
[ 110-86-1 ]
[ 524-36-7 ]
[ 112-13-0 ]
[ 104622-70-0 ]

Reference： [1]Journal of Organic Chemistry,1957,vol. 22,p. 825

3
[ 20876-36-2 ]
[ 112-13-0 ]
[ 107923-75-1 ]

Reference： [1]Patent: US2872372,1957,

4
[ 7512-17-6 ]
[ 112-13-0 ]
2-acetylamino-tetra-<i>O</i>-decanoyl-2-deoxy-β(?)-D-glucopyranose [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1956,vol. 78,p. 4722,4724
Journal of Organic Chemistry,1960,vol. 25,p. 1265,1267

5
[ 827-52-1 ]
[ 112-13-0 ]
1-(4-cyclohexyl-phenyl)-decan-1-one [ No CAS ]

Reference： [1]Bulletin de la Societe Chimique de France,1945,vol. <5> 12,p. 975,977

6
[ 52200-90-5 ]
[ 112-13-0 ]
[ 142521-07-1 ]

Reference： [1]Archiv der Pharmazie,1930,vol. 268,p. 151,155, 156

7
[ 112-13-0 ]
[ 1708-40-3 ]
[ 56630-72-9 ]

Reference： [1]Journal of the American Chemical Society,1934,vol. 56,p. 1725

8
[ 22102-92-7 ]
[ 2418-67-9 ]
[ 112-13-0 ]
N(α)-Caproyl-N(ω),N(ω)-didecanoyl-L-arginyl-glycin [ No CAS ]

Reference： [1]Tetrahedron,1969,vol. 25,p. 5785 - 5806

9
[ 825-41-2 ]
[ 112-13-0 ]
[ 5540-92-1 ]

Reference： [1]Journal of Medicinal Chemistry,1966,vol. 9,p. 428 - 430

10
[ 17673-25-5 ]
[ 112-13-0 ]
[ 20963-94-4 ]

Reference： [1]Zeitschrift fur Naturforschung. Teil B: Chemie, Biochemie, Biophysik, Biologie,1968,vol. 23,p. 538 - 546

11
[ 42167-26-0 ]
[ 112-13-0 ]
[ 61796-80-3 ]

Reference： [1]Patent: DE2515146,1976,
Chem.Abstr.,1977,vol. 86
[2]Patent: DE2551483,1977,
Chem.Abstr.,1977,vol. 87

12
[ 3844-53-9 ]
[ 112-13-0 ]
[ 61796-82-5 ]

Reference： [1]Patent: DE2515146,1976,
Chem.Abstr.,1977,vol. 86
[2]Patent: DE2551483,1977,
Chem.Abstr.,1977,vol. 87

13
[ 28319-77-9 ]
[ 112-13-0 ]
[ 3436-44-0 ]

Reference： [1]Recueil des Travaux Chimiques des Pays-Bas,1960,vol. 79,p. 661 - 674

14
[ 66-84-2 ]
[ 112-13-0 ]
[ 59343-84-9 ]

Reference： [1]Carbohydrate Research,1976,vol. 47,p. 188 - 194

15
[ 10212-25-6 ]
[ 112-13-0 ]
[ 62840-05-5 ]

Reference： [1]Journal of Medicinal Chemistry,1976,vol. 19,p. 663 - 667

16
[ 32854-09-4 ]
[ 112-13-0 ]
(R)-2-Decanoylamino-3-((R)-2-decanoylamino-2-methoxycarbonyl-ethyldisulfanyl)-propionic acid methyl ester [ No CAS ]

Reference： [1]Journal of general chemistry of the USSR,1970,vol. 40,p. 1623 - 1631
Zhurnal Obshchei Khimii,1970,vol. 40,p. 1634 - 1644

17
[ 3030-06-6 ]
[ 112-13-0 ]
[ 133950-78-4 ]

Reference： [1]European Journal of Medicinal Chemistry,1990,vol. 25,p. 697 - 699

18
[ 26864-56-2 ]
[ 112-13-0 ]
[ 80458-76-0 ]

Reference： [1]Collection of Czechoslovak Chemical Communications,1981,vol. 46,p. 1530 - 1533

19
[ 1071-46-1 ]
[ 112-13-0 ]
[ 67342-99-8 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1980,vol. 28,p. 2494 - 2502
[2]Chemical and Pharmaceutical Bulletin,1984,vol. 32,p. 4197 - 4204

20
[ 136-77-6 ]
[ 112-13-0 ]
[ 393519-45-4 ]

Reference： [1]Journal fur Praktische Chemie - Chemiker-Zeitung,1992,vol. 334,p. 269 - 277

21
[ 1568-80-5 ]
[ 112-13-0 ]
[ 127293-43-0 ]

Reference： [1]Journal of the American Chemical Society,1989,vol. 111,p. 4953 - 4959

22
[ 3102-70-3 ]
[ 112-13-0 ]
[ 107976-26-1 ]

Reference： [1]Canadian Journal of Chemistry,1988,vol. 66,p. 1867 - 1871

23
[ 26348-61-8 ]
[ 112-13-0 ]
[ 106135-45-9 ]

Reference： [1]Pharmaceutical Chemistry Journal,1986,vol. 20,p. 632 - 636
Khimiko-Farmatsevticheskii Zhurnal,1986,vol. 20,p. 1064 - 1068

24
[ 4316-73-8 ]
[ 112-13-0 ]
[ 2671-91-2 ]

Reference： [1]Journal of the Indian Chemical Society,1982,vol. 59,p. 856 - 859

25
[ 3940-27-0 ]
[ 112-13-0 ]
[ 106135-40-4 ]

Reference： [1]Pharmaceutical Chemistry Journal,1986,vol. 20,p. 632 - 636
Khimiko-Farmatsevticheskii Zhurnal,1986,vol. 20,p. 1064 - 1068

26
[ 112-13-0 ]
[ 70-00-8 ]
[ 89143-06-6 ]

Reference： [1]Chemical and pharmaceutical bulletin,1987,vol. 35,p. 2090 - 2094

27
[ 112-13-0 ]
[ 124-40-3 ]
[ 14433-76-2 ]

Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 2619 - 2622
[2]Analytical Chemistry,1991,vol. 63,p. 2520 - 2525
[3]Chemical Communications,2007,p. 4916 - 4918

28
[ 112-13-0 ]
[ 67342-99-8 ]

Reference： [1]Tetrahedron Letters,1988,vol. 29,p. 3061 - 3064
[2]Journal of the Chemical Society. Perkin transactions I,1997,p. 3543 - 3548
[3]Journal of Heterocyclic Chemistry,1981,vol. 18,p. 1077 - 1079
[4]Journal of the Chemical Society C: Organic,1966,p. 1743 - 1753
[5]Patent: EP2077109,2009,A1

29
[ 112-13-0 ]
[ 24155-42-8 ]
1-[2,4-dichloro-β-(n-nonylcarbonyloxy)phenethyl]imidazole [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,1994,vol. 29,p. 701 - 706

30
[ 1081-34-1 ]
[ 112-13-0 ]
[ 188917-65-9 ]

Reference： [1]Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals,1995,vol. 265,p. 61 - 76

31
[ 19794-53-7 ]
[ 112-13-0 ]
2-Decanoylamino-3-methoxy-propionic acid [ No CAS ]

Reference： [1]Journal of Agricultural and Food Chemistry,1995,vol. 43,p. 867 - 871

32
[ 1618-26-4 ]
[ 112-13-0 ]
1,1-Bis-methylsulfanyl-undecan-2-one [ No CAS ]
1,1-Bis(methylthio)-2-<bis(methylthio)methyl>undecan-2-ol [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1996,vol. 61,p. 9572 - 9577

33
[ 18735-74-5 ]
[ 112-13-0 ]
[ 133464-46-7 ]
[ 188403-10-3 ]
[ 111276-71-2 ]
(S)-2-Decanoylamino-4-(methyl-{2-[(5-methyl-2-phenyl-oxazole-4-carbonyl)-amino]-ethyl}-carbamoyl)-butyric acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,1997,vol. 5,p. 165 - 177

34
[ 18735-74-5 ]
[ 112-13-0 ]
[ 133464-46-7 ]
(2-Hexylamino-ethyl)-carbamic acid allyl ester [ No CAS ]
[ 111276-71-2 ]
(S)-2-Decanoylamino-4-(hexyl-{2-[(5-methyl-2-phenyl-oxazole-4-carbonyl)-amino]-ethyl}-carbamoyl)-butyric acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,1997,vol. 5,p. 165 - 177

35
[ 18735-74-5 ]
[ 112-13-0 ]
[ 133464-46-7 ]
[ 289905-94-8 ]
[ 111276-71-2 ]
(S)-4-(Benzyl-{2-[(5-methyl-2-phenyl-oxazole-4-carbonyl)-amino]-ethyl}-carbamoyl)-2-decanoylamino-butyric acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,1997,vol. 5,p. 165 - 177

36
[ 26687-82-1 ]
[ 112-13-0 ]
arctigenin decanoate [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1996,vol. 44,p. 2300 - 2304

37
[ 6318-74-7 ]
[ 112-13-0 ]
Decanoic acid (4,5-diphenyl-thiazol-2-yl)-amide [ No CAS ]

Reference： [1]Pharmazie,1999,vol. 54,p. 19 - 23

38
[ 26549-24-6 ]
[ 112-13-0 ]
(1R)-1-Methylpentyl decanoate [ No CAS ]

Reference： [1]Journal of Chemical Ecology,1994,vol. 20,p. 3083 - 3096

39
[ 112-13-0 ]
glycerol-1.2-isopropylidene ether [ No CAS ]
[ 2277-23-8 ]

Reference： [1]Journal of the Indian Institute of Science, Section A,1930,vol. 13,p. 133
Chemisches Zentralblatt,1930,vol. 101,p. 3737

40
[ 7446-70-0 ]
[ 827-52-1 ]
[ 112-13-0 ]
1-(4-cyclohexyl-phenyl)-decan-1-one [ No CAS ]

Reference： [1]Bulletin de la Societe Chimique de France,1945,vol. <5> 12,p. 975,977

41
[ 112-13-0 ]
[ 970-73-0 ]
(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl decanoate [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 5143 - 5148
[2]Bioorganic and Medicinal Chemistry Letters,2000,vol. 10,p. 1673 - 1675

42
[ 69142-64-9 ]
[ 112-13-0 ]
[ 316810-37-4 ]

Reference： [1]Tetrahedron,2000,vol. 56,p. 8419 - 8427

43
[ 64-17-5 ]
[ 112-13-0 ]
[ 110-38-3 ]

Yield	Reaction Conditions	Operation in experiment
	for 2h;Reflux;	Decanoic acid was dissolved in thionyl chloride (10 ml) and treated in water bath for 3 hours to distill off excess thionyl chloride. Ethanol (30 ml) was added to chloride of decanoic acid and refluxed in water bath for 2 hours. After cooling, the reaction mixture was added to 1N HCl (80 ml) to be acidic and distributed with EtOAc. The distributed liquid was purified with column chromatography (developing solvent: C6H14-EtOAc (3 :1)) after concentration, and decanoic acid ethyl ester shown in the following was isolated. Colorless oily substance, C12H24O2 MW 200, EIMS m/z (%): 200 (M+, 10), 155 (26), 101 (44), 88 (100), 73 (19)

Reference： [1]Synthetic Communications,2002,vol. 32,p. 23 - 30
[2]Patent: EP2457567,2015,B1 .Location in patent: Paragraph 0027-0028

44
[ 112-13-0 ]
[ 5456-63-3 ]
decanoic acid (trans-2-hydroxycyclohexyl)-amide [ No CAS ]

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2002,vol. 177,p. 2887 - 2893

45
[ 201230-82-2 ]
[ 122-94-1 ]
[ 112-13-0 ]
[ 125102-15-0 ]
4-nonanoylamino-5-oxo-cyclohepta-1,3,6-trienecarboxylic acid 4-butoxy-phenyl ester [ No CAS ]

Reference： [1]Tetrahedron Letters,2003,vol. 44,p. 1251 - 1254

46
[ 1878-88-2 ]
[ 962-39-0 ]
[ 79-08-3 ]
[ 112-13-0 ]
(S)-2-{Carboxymethyl-[2-(3-decanoylamino-phenoxy)-acetyl]-amino}-3-phenyl-propionic acid benzyl ester [ No CAS ]

Reference： [1]Synthesis,2003,p. 1717 - 1721

47
[ 19814-75-6 ]
[ 112-13-0 ]
[ 791136-97-5 ]

Reference： [1]Advanced Synthesis and Catalysis,2004,vol. 346,p. 789 - 799

48
[ 3728-20-9 ]
[ 112-13-0 ]
[ 22221-58-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 1634 - 1640

49
[ 112-13-0 ]
[ 59454-35-2 ]

Reference： [1]Journal of Organic Chemistry USSR (English Translation),1984,vol. 20,p. 1187 - 1191
Zhurnal Organicheskoi Khimii,1984,vol. 20,p. 1305 - 1310

50
[ 112-13-0 ]
[ 106418-67-1 ]

Reference： [1]Molecular Crystals and Liquid Crystals,2003,vol. 396,p. 241 - 250
[2]Journal of Materials Chemistry,2003,vol. 13,p. 50 - 55
[3]Macromolecules,2010,vol. 43,p. 8063 - 8070
[4]Bulletin of the Korean Chemical Society,2012,vol. 33,p. 541 - 548
[5]Bioorganic and Medicinal Chemistry,2013,vol. 21,p. 7763 - 7778

51
[ 112-13-0 ]
[ 37529-30-9 ]

Reference： [1]Technology Reports of Kansai University,1959,p. 41,43, 44
[2]Molecular Crystals and Liquid Crystals,2009,vol. 509,p. 283 - 291

52
[ 978-62-1 ]
[ 112-13-0 ]
C₂₅H₂₆ClF₆NO₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
89.3%	With triethylamine; In DMF (N,N-dimethyl-formamide); at 20℃; for 1.0h;	Decanoyl chloride(70 muL, 0.339mmol) was added to a solution of 5-chloro-2-hydroxy-N-[3,5-bis(trifluoromethyl)phenyl]benzamide(compound of Example 1(1); 100mg, 0.261mmol) and triethylamine(50 muL, 0.359mmol) in N,N-dimethylformamide(1.5mL) under argon atmosphere, and the mixture was stirred at room temperature for 1 hour. Water was added to the reaction mixture and it was extracted with ethyl acetate. After the ethyl acetate layer was washed successively with water and brine, dried over anhydrous sodium sulfate, the residue obtained by evaporation of the solvent under reduced pressure was purified by column chromatography on silica gel(n-hexane:ethyl acetate=4:1) to give the title compound(125mg, 89.3percent) as a colorless oil.1H-NMR(CDCl3): delta 0.87(3H, t, J=7.2Hz), 1.21-1.33(12H, m), 1.65-1.75(2H, m), 2.61(2H, t, J=7.2Hz), 7.13(1H, d, J=9.0Hz), 7.50(1H, dd, J=8.7, 2.4Hz), 7.66(1H, s), 7.80(1H, d, J=2.4Hz), 8.09(2H, s), 8.38(1H, s).

Reference： [1]Patent: EP1512397,2005,A1 .Location in patent: Page/Page column 77

53
[ 62147-49-3 ]
[ 112-13-0 ]
[ 73312-67-1 ]
[ 628-13-7 ]

Yield	Reaction Conditions	Operation in experiment
60 - 73%	With pyridine;dmap; In dichloromethane; at 20 - 30℃;	Small Scale 1, 3-DIDECANOYLOXYPROPAN-2-ONE Decanoyl chloride (40.0 ml, 36. 8 g, 0.19 mol, 1.98 equiv) was added dropwise over 10-15 min to a stirred suspension of 1,3-dihydroxyacetone dimer (8.68 g, 0.048 mol, 1.0 equiv), pyridine (15.6 ml, 0.19 mol), 4-dimethylaminopyridine (0.18 g, 0.0014 mol, 0.03 equiv) and dichloromethane (DCM, 150 ml) at room temperature under nitrogen. The temperature of the reaction mixture was kept below 30C by cooling in a cold water bath. The reaction mixture was stirred at RT under nitrogen overnight. The pyridine hydrochloride formed was removed by filtration and washed with DCM. The combined filtrate and washings were then washed with 1 x 25ML portions of 5% NACL, 5% NAHC03, O. 1N HCI, 5% NACL. The solution was then dried over MGS04 and concentrated in vacuo to a yellowish semi-solid. This was then crystallised from methanol (150 ml) to give a white solid. The yield was 28.2 g (73%).; Large Scale 1, 3-didecanoyloxypropan-2-one Decanoyl chloride (272 ml, 250 g, 1.3 mol, 2 equiv) was added dropwise over 10-15 MIN to a stirred suspension of 1,3-dihydroxyacetone dimer (59.1 g, 0.65 mol, 1.0 equiv), pyridine (106 ml, 103.7g 1.3 mol), 4-dimethylaminopyridine (2.38 g, 0.02 mol, 0.03 equiv) and dichloromethane (DCM, 750ML) at room temperature under nitrogen. The temperature of the reaction mixture was kept below 30C by cooling in a cold water bath. The reaction mixture was stirred at RT under nitrogen overnight. The pyridine hydrochloride formed was removed by filtration and washed with DCM. The combined filtrate and washings were then washed with 1 x 150ML portions of 5% NaCl, 5% NAHC03, O. 1N HCI, 5% NaCl. The solution was then dried over MGS04 and concentrated in vacuo to a yellowish semi-solid. This was then crystallised from methanol (500ml) to give a white solid. The yield was 158 g (60%).; Large Scale 1, 3-DIDECANOYLOXYPROPAN-2-ONE Decanoyl chloride (272 ml, 250 g, 1.3 mol, 2 equiv) was added dropwise over 10-15 min to a stirred suspension of 1,3-dihydroxyacetone dimer (59.1 g, 0.65 mol, 1.0 equiv), pyridine (106 ml, 103.7g 1.3 mol), 4-dimethylaminopyridine (2.38 g, 0.02 mol, 0.03 equiv) and dichloromethane (DCM, 750ML) at room temperature under nitrogen. The temperature of the reaction mixture was kept below 30C by cooling in a cold water bath. The reaction mixture was stirred at RT under nitrogen overnight. The pyridine hydrochloride formed was removed by filtration and washed with DCM. The combined filtrate and washings were then washed with 1 x 150ML portions of 5/ONACL, 5/ONAHCO3, O. 1N HC1, 5% NaCl. The solution was then dried over MGS04 and concentrated in vacuo to a yellowish semi-solid. This was then crystallised from methanol (500ML) to give a white solid. The yield was 158 g (60%).

Reference： [1]Patent: WO2005/18632,2005,A1 .Location in patent: Page/Page column 28-30; 37-38

54
[ 112-13-0 ]
[ 56-81-5 ]
[ 621-71-6 ]
[ 628-13-7 ]

Yield	Reaction Conditions	Operation in experiment
86%		Comparative lipid 1: synthesis TRICAPRIN (Glycerol tridecanoate) Small Scale Glycerol (3.0 g, 0.0325 mol, 1 eq) pyridine (8.1 ml, 0.10 mol, 3.1 EQ) and dichloromethane (100 ml) were stirred at room temperature under nitrogen. Decanoyl chloride (21 ml, 19.25 g, 0.10 mol, 3.1 equiv) was then added dropwise over 5 min, with external cooling in a water bath to keep the temperature at 30-35 C. When the addition was complete 4-dimethylaminopyridine (DMAP (0.12 g, 1 mmol, 0.03 eq) was added and the mixture stirred under nitrogen at room temperature overnight. The precipitated pyridine hydrochloride was removed by filtration and washed with dichloromethane. The combined washing and filtrate was then washed with aqueous solutions (20 ml) of 5% sodium chloride, 5% sodium bicarbonate, O. 1N hydrochloric acid, and 5% sodium chloride. The dichloromethane layer was then dried over MGS04 and the solvent removed III vacuo. The residual oil crystallised on standing. This material was recrystallised from isopropanol (40 ML) to give 15.6 g (86% yield) of a waxy white solid. ANALVSIS GC-99.8% pure HPLC (C18 4.6 x 100 mm, ACN/THF 85/15 1 ml/min, K 210 NM)-94. 9% pure Large Scale The above was repeated on 15 times the scale. Glycerol (45.0 g, 0.49 mol, 1 eq), pyridine (121.5 ml, 1.50 mol, 3.1 EQ) and dichloromethane (1.5 L) were stirred at room temperature under nitrogen. Decanoyl chloride (315 ml, 288.8 g, 1.50 mol, 3.1 equiv) was then added dropwise over 15 min, with external cooling in a water bath to keep the temperature at 30-35 C. When the addition was complete 4-dimethylaminopyridine (DMAP (1.8 g, 15 mmol, 0.03 EQ) was added and the mixture stirred under nitrogen at room temperature overnight. The precipitated pyridine hydrochloride was removed by filtration and washed with dichloromethane. The combined washing and filtrate was then washed with aqueous solutions (300 ml) of 5% sodium chloride, 5% sodium bicarbonate, O. 1N hydrochloric acid, and 5% sodium chloride. The dichloromethane layer was then dried over MGS04 and the solvent removed I72 VACUO. The residual oil crystallised on standing. This material was recrystallised from isopropanol (400 ml) to give 228 g (86% yield) of a waxy white solid. ANALVSIS GC-99.8% pure HPLC (C18 4.6 x 100 mm, ACN/THF 85/15 1 ml/min, X 210 nm) -94. 9% pure A further batch was made and combined with the small-scale batch above and recrystallised from isopropanol to give 44 g of product. The above batches were combined (268 g) and reanalysed: GC 99.9% pure HPLC 97.9% Summary 263 g of glycerol tridecanoate (tricaprin, CCC) was been prepared from decanoyl chloride (98 %) by a one-step process (scheme given below). It is a white, low-melting solid and was stored under nitrogen in the freezer. The C content was 99.9 % of fatty acid content and the HPLC purity was 97.9 %.

Reference： [1]Patent: WO2005/18632,2005,A1 .Location in patent: Page/Page column 26-27

55
[ 34805-17-9 ]
[ 112-13-0 ]
[ 1100949-61-8 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In dichloromethane; at -2 - 20℃; for 4h;	Reactant/Reagent: MW: Moles: Amount: Units: H-Tyr(Bzl)-OMe HCl 321.8 0.003 0.965 g decanoyl chloride 98% d=0.919 190.71 0.006 1.27 ml TEA d=0.726 101.19 0.016 2.2 ml DCM 15 ml TEA is added to a solution of the remaining reactants in DCM at -2 to +3 C. The reaction mixture is stirred at room temperature for 4 hrs and diluted with 0.1N HCl. The product is extracted with DCM, washed with water, dried with MgSO4, and solvent is evaporated under reduced pressure. The residue is crystallized from hexanes to afford the title compound.

Reference： [1]Patent: US2006/128613,2006,A1 .Location in patent: Page/Page column 62

56
[ 112-13-0 ]
[ 65145-13-3 ]
2-fluoro-4-n-decanoyloxybenzoic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
82%	With hydrogenchloride; 2-(Dimethylamino)pyridine; sodium chloride; triethylamine; In hexane; dichloromethane;	(1) Preparation of 4-decanoyloxy-2-fluorobenzoic acid 15.6 Grams (0.1 mol) of <strong>[65145-13-3]4-hydroxy-2-fluorobenzoic acid</strong> was dissolved in 140 ml of dichloromethane. To this solution were consecutively added 16 ml of triethylamine, 20.1 g (0.11 mol) of n-decanoic acid chloride and 0.97 g (0.0079 mol) of dimethylaminopyridine, and the mixture was stirred at room temperature for a whole day and night. To this was added 50 ml of 10 % hydrochloric acid, and the mixture was extracted with 100 ml of ether three times. An organic layer was washed with 100 ml of a sodium chloride aqueous solution three times, and then dried over anhydrous sodium sulfate. The solvent was distilled off, and then the residue was washed with 400 ml of hexane to give 25,5 g (yield 82 %) of the intended product.
	With hydrogenchloride; 2-(Dimethylamino)pyridine; triethylamine; In dichloromethane;	(3) Synthesis of 2-fluoro-4-n-decanoyloxybenzoic acid STR109 To a solution of <strong>[65145-13-3]2-fluoro-4-hydroxybenzoic acid</strong> (2 g) and triethylamine (1.4 g) in dichloromethane (40 ml) were added decanoylchloride (2.7 g) and dimethylaminopyridine (0.2 g). The solution was stirred at room temperature for about 20 hours. To the solution was added dilute aqueous hydrochloric acid solution and the organic layer was separated by a funnel. The layer was distilled to remove the solvent. The residue was washed with n-hexane and dried to obtain the titled compound (about 2.8 g).
	With hydrogenchloride; 2-(Dimethylamino)pyridine; triethylamine; In hexane; dichloromethane;	(1) Preparation of 4-decanoyloxy-2-fluorobenzoic acid 15.6 Grams (0.1 mol) of <strong>[65145-13-3]4-hydroxy-2-fluorobenzoic acid</strong> was dissolved in 140 ml of dichloromethane. To the mixture were consecutively added 16 ml of triethylamine, 0.1 g (0.11 mol) of n-decanoic acid chloride and 0.97 (0.0079 mol) of dimethylaminopyridine, and the mixture was stirred at room temperature for a whole day. 10% Hydrochloric acid in an amount of 50 ml was added, and the mixture was subjected to extraction with 100 ml of ether three times. The organic layer was washed with a sodium chloride aqueous solution three times and dried over anhydrous sodium sulfate. The solvent was distilled off, the residue was washed with 400 ml of hexane to give 25.5 g of the intended product.

Reference： [1]Patent: EP738704,1996,A2
[2]Patent: US5207947,1993,A
[3]Patent: US6018070,2000,A

57
[ 13500-53-3 ]
[ 112-13-0 ]
[ 944270-00-2 ]

Reference： [1]Chemistry - A European Journal,2007,vol. 13,p. 10246 - 10256

58
[ 27894-50-4 ]
[ 112-13-0 ]
[ 934499-03-3 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 1451 - 1454

59
[ 951-87-1 ]
[ 112-13-0 ]
N,N'-[(1R,2S)-1,2-diphenyl-1,2-ethanediyl]bisdecanamide [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2008,vol. 56,p. 1052 - 1058

60
[ 623-65-4 ]
[ 28319-77-9 ]
[ 112-13-0 ]
[ 182294-07-1 ]

Reference： [1]Journal of the American Oil Chemists' Society,2008,vol. 85,p. 1005 - 1011

61
[ 144-82-1 ]
[ 112-13-0 ]
[ 1191951-65-1 ]

Yield	Reaction Conditions	Operation in experiment
95%	With pyridine; at 95℃; for 1h;	Amine 2 (250 mg, 0.93 mmol) was suspended in pyridine (0.5 mL). Decanoyl chloride (141 mg, 0.74 mmol) was added slowly with stirring at 0 C. The reaction mixture was then heated to 95 C for 1 h, cooled, added to aqueous 3 N HCl (5 mL), and the mixture extracted with EtOAc (3 ' 10 mL). The organic extracts were washed with water (3 ' 20 mL), brine (3 ' 20 mL), dried over anhydrous Na2SO4, and filtered. Evaporation of the solvent left a residue which was crystallized from hexanes:EtOAc 1:2 to give the product 18 (297 mg, 0.70 mmol, 95%), Rf 0.31 (5% MeOH/CH2Cl2), as a solid, mp 141-142 C; 1H NMR (500 MHz, DMSO-d6) d 0.82 (3, t, J = 7.0 Hz), 1.10-1.30 (12, m), 1.54-1.63 (2, m), 2.32 (2, t, J = 7.0 Hz), 2.45 (3, s), 8.25 (2, d, J = 8.0 Hz), 8.28 (2, d, J = 8.0 Hz), 10.25 (1, s), 13.87 (1, s); 13C NMR (125 MHz, DMSO-d6) d 13.9, 16.0, 22.1, 24.9, 28.5, 28.6, 28.8, 28.9, 31.2, 36.4, 118.5, 126.8, 135.5, 142.7, 154.1, 167.6, 171.7; LRMS (LCQ, ESI+) calculated for C19H29N4O3S2 425.2, observed 425.1 (M+H)+; HRMS (FAB+, m/z) calculated for C19H29N4O3S2 425.1681, observed 425.1678 (M+H)+.
95%	With pyridine; at 0 - 95℃;	Compound 105 (250 mg, 0.93 mmol) was suspended in pyridine (0.5 mL). Decanoyl chloride (141 mg, 0.74 mmol) was added slowly at 0 0C. The reaction mixture was then heated to 95 0C and was stirred for 1 h. The reaction mixture was then added to aqueous 3 N HCl solution (5 mL) and the mixture extracted with ethyl acetate (3 x 10 mL). The organic extracts were washed with water (3 x 20 mL), brine (3 x 20 mL), dried over anhydrous Na2SO4, and filtered. Evaporation of the solvent left a residue which was crystallized from hexanes and ethyl acetate (1 :2) to give the product (297 mg, 0.70 mmol, 95%) as a solid, mp 141-142 0C; 1H NMR (500 MHz, DMSO) delta 0.82 (3, t, J = 7.0 Hz), 1.10-1.30 (12, m), 1.54- 1.63 (2, m), 2.32 (2, t, J = 7.0 Hz), 2.45 (3, s), 8.25 (2, d, J = 8.0 Hz), 8.28 (2, d, J = 8.0 Hz), 10.25 (1, s), 13.87 (1, s); 13C NMR (125 MHz, DMSO) delta 13.9, 16.0, 22.1, 24.9, 28.5, 28.6, 28.8, 28.9, 31.2, 36.4, 118.5, 126.8, 135.5, 142.7, 154.1, 167.6, 171.7; MS (LCQ, ESI+) Calculated for Ci9H29N4O3S2 425.2, found 425.1 (M+H)+; HRMS (FAB+, m/z) Calculated for Ci9H29N4O3S2 425.1681, found 425.1678 (M+H)+.

Reference： [1]Bioorganic and Medicinal Chemistry,2011,vol. 19,p. 2046 - 2054
[2]Patent: WO2009/129267,2009,A2 .Location in patent: Page/Page column 90

62
[ 84624-28-2 ]
[ 112-13-0 ]
[ 1128181-19-0 ]

Reference： [1]Journal of Medicinal Chemistry,2009,vol. 52,p. 1310 - 1316

63
[ 334-48-5 ]
C₆H₁₄-EtOAc [ No CAS ]
[ 112-13-0 ]
[ 110-38-3 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In thionyl chloride; ethanol;	Production Example 2 (Decanoic acid ethyl ester, compound 3) Decanoic acid was dissolved in thionyl chloride (10 ml) and treated in water bath for 3 hours to distill off excess thionyl chloride. Ethanol (30 ml) was added to chloride of decanoic acid and refluxed in water bath for 2 hours. After cooling, the reaction mixture was added to 1N HCl (80 ml) to be acidic and distributed with EtOAc. The distributed liquid was purified with column chromatography (developing solvent: C6H14-EtOAc (3:1)) after concentration, and decanoic acid ethyl ester shown in the following was isolated. Colorless oily substance, C12H24O2 MW 200, EIMS m/z (%): 200 (M+, 10), 155 (26), 101 (44), 88 (100), 73 (19)

Reference： [1]Patent: EP2204172,2010,A1

64
[ 56-75-7 ]
[ 112-13-0 ]
[ 1303598-17-5 ]

Yield	Reaction Conditions	Operation in experiment
80%	With dmap; triethylamine; In dichloromethane; at 20℃; for 1h;Inert atmosphere;	General procedure: To a chloroamphenicol (1, 100 mg, 0.309 mmol) solution in dry CH2Cl2 (3 mL), DMAP (7.6 mg, 0.0618 mmol), Et3N (93.4 muL, 0.670 mmol) and the corresponding chloride acid (0.928 mmol) were added under nitrogen atmopshere. The reaction was stirred at room temperature during 1 h and after this time the solvent was evaporated in the rotary evaporator. The resulting crude was purified by flash chromatography on silica gel (30% EtOAc/hexane) to afford the desired diester: 4a (71%), 4b (80%), 4c (93%), 4d (99%), and 4e (99%).

Reference： [1]Tetrahedron,2011,vol. 67,p. 2858 - 2862

65
[ 6305-38-0 ]
[ 112-13-0 ]
N-(1-oxodecanoyl)-L-homoserine lactone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
98%	With sodium carbonate; In dichloromethane; water; at 20℃; for 2h;	The appropriate acid chloride (1.0 equiv) was added dropwise at room temperature to a vigorously stirred mixture of (S)-(-)-alpha-amino-gamma-butyro lactone hydrobromide (1.3 equiv.) and Na2CO3 (2.6 equiv.) in water (5 mL per mmol acid chloride) and CH2Cl2 (5 mL per mmol acid chloride). The mixture was left to stir vigorously at room temperature for 2 h. CH2Cl2 was added, the aqueous and organic phases were separated and the aqueous phase was extracted with CH2Cl2 (2 x 20 mL). The combined organic extracts were washed with saturated aqueous NaHCO3 (2 x 40 mL), dried (MgSO4) and the solvent removed under reduced pressure to yield the desired product.
43%	With sodium carbonate; In dichloromethane; water; at 20℃; for 2h;	General procedure: The appropriate acid chloride 2 (4 mmol) was added dropwise at room temperature to a vigorously stirred mixture of (S)-homoserine lactone hydrobromide (1, 1.3 equiv, 0.95 g,5.2 mmol) and Na2CO3 (2.6 equiv, 0.55 g, 10.4 mmol) in water(5 mL per mmol acid chloride) and CH2Cl2 (5 mL per mmol acid chloride). The mixture was stirred vigorously at room temperature for 2 h. CH2Cl2 was added, the aqueous and organic phases were separated and the aqueous phase was extracted with CH2Cl2 (2 × 20 mL). The combined organic extracts were washed with saturated aqueous NaHCO3(2 × 40 mL), dried (MgSO4), filtered and the solvent removed under reduced pressure to yield the desired product 3. The crude product was purified via column chromatography on silica gel(EtOAc/petroleum ether 4:1).

Reference： [1]Tetrahedron Letters,2011,vol. 52,p. 3291 - 3294
[2]Beilstein Journal of Organic Chemistry,2014,vol. 10,p. 2539 - 2549

66
[ 69-74-9 ]
[ 112-13-0 ]
[ 58611-44-2 ]

Reference： [1]Medicinal Chemistry,2010,vol. 6,p. 108 - 113

67
[ 22876-16-0 ]
[ 112-13-0 ]
C₁₈H₂₅NO₃ [ No CAS ]

Reference： [1]Arzneimittel-Forschung/Drug Research,2012,vol. 62,p. 330 - 334

68
[ 7768-28-7 ]
[ 112-13-0 ]
[ 491845-56-8 ]

Reference： [1]Journal of Agricultural and Food Chemistry,2012,vol. 60,p. 7408 - 7416

69
[ 7768-28-7 ]
[ 112-13-0 ]
[ 1390634-24-8 ]

Reference： [1]Journal of Agricultural and Food Chemistry,2012,vol. 60,p. 7408 - 7416

70
[ 99512-72-8 ]
[ 112-13-0 ]
[ 1421771-85-8 ]

Reference： [1]Organic and Biomolecular Chemistry,2013,vol. 11,p. 1179 - 1198

71
[ 112-13-0 ]
[ 139180-30-6 ]
[ 1436428-65-7 ]

Yield	Reaction Conditions	Operation in experiment
74%	With trifluoroacetic acid; In dichloromethane; at 20℃; for 7.5h;	4-(2-((7-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino)ethyl) phenol (5) (50.0 mg, 148 mumol) was suspended in dichloromethane (2 mL) and trifluoroacetic acid (2 mL) was added. Decanoyl chloride (33.8 mul, 163 mumol) was drop wise added at room temperature. After 1 h and 2.5 h another equivalent of decanoyl chloride (33.8 muL, 163 mumol) was drop wise added to the reaction mixture. After 4 h reaction time the solvent was removed under vacuum. The crude material was purified by column chromatography (dichloromethane 100% ? dichloromethane: methanol 95:5). Extraction with NaHCO3, Na2CO3 water and brine was necessary to remove remaining decanoic acid. Organic layer was dried with sodium sulfate, filtered and dried on high vacuum. The title compound 48 was obtained as a white solid (53.6 mg, 74%), mp: 176-179 C. 1H NMR (400 MHz, d6-DMSO) delta 8.55 - 8.00 (2 br s, ratio 1:5, 2H), 7.87 (s, 1H), 7.53 (2 br t, J = 5.4 Hz, ratio 1:2, 1H), 7.29 (m, 2H), 7.11 - 6.98 (m, 3H), 6.68 (m, 1H), 3.52 (m, 2H), 2.89 (m, 2H), 2.54 (t, J = 7.4 Hz, 2H), 1.70 - 1.55 (m, 2H), 1.38 - 1.20 (m, 12H), 0.85 (t, J = 6.8 Hz, 3H). Some of the 13C signal show up twice, the signal with lower intensity is marked with an asterisk (). 13C NMR (101 MHz, d6-DMSO) delta 171.8 (C), 161.5 (C), 161.1 (C), 159.2 (C), 156.4 (C), 155.8 (C), 150.7 (C), 150.0 (C), 148.8 (C), 148.8 (C), 146.2 (C), 144.5 (CH), 137.0 (C), 129.5 (CH), 121.5 (CH), 111.8 (CH), 111.6 (CH), 42.7 (CH2), 42.1 (CH2), 34.4 (CH2), 34.0 (CH2), 33.4 (CH2), 31.3 (CH2), 31.2 (CH2), 28.8 (CH2), 28.8 (CH2), 28.7 (CH2), 28.7 (CH2), 28.6 (CH2), 28.4 (CH2), 28.4 (CH2), 24.3 (CH2), 22.1 (CH2), 22.1 (CH2), 13.9 (CH2*), 13.9 (CH3). LCMS: m/z (ESI 20 V) 492.2 (MH+, 100). HRMS (C26H33N7O3): calc?d 492.2718 [M+H]+, found 492.2717. HPLC: tR 12.52 min, ?99% (214 nm), ?99% (254 nm).

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 3427 - 3433

72
[ 2050-25-1 ]
[ 112-13-0 ]
[ 1430196-47-6 ]

Yield	Reaction Conditions	Operation in experiment
97%	With pyridine; dmap; In dichloromethane; at 0 - 22℃; for 2h;Inert atmosphere;	The solution of decanoyl chloride (9.5 ml, 45.78 mmol) in CH2Cl2 (20 ml) was slowly added dropwise at 0 C (ice bath) under argon to the solution of 2-(2-benzyloxyethoxy)ethanol [44] ( 1, 8.01 g, 40.82 mmol), pyridine (3.6 ml, 44.6 mmol) and DMAP (0.50 g, 4.09 mmol) in CH2Cl2 (30 ml). Then the mixture was stirred and warmed to ambient temperature. After 2 h it was poured into aqueous AcOH (6%), and the aqueous layer was washed with CH2Cl2. The combined organic layers were washed with water, brine, dried with anhydrous MgSO4 and evaporated under reduced pressure. The crude product was purified by gradient Fc (CH2Cl2/MeOH/AcOH 900:7.5:3 to 150:5:1). This provided an oily liquid. Yield: 14.0 g (97%). 1H NMR (250 MHz, CDCl3), delta: 0.88 (m, 3H, CH3), 1.18-1.40 (m, 12H, 6 × CH2), 1.62 (m, 2H, CH2CH2CH2COO), 2.32 (m, 2H, CH2COO), 3.60-3.74 (m, 6H, 3 × CH2OCH2), 4.20-4.27 (m, 2H, CH2OCO), 4.57 (s, 2H, PhCH2OCH2), 7.25-7.37 (m, 5H, Ph). 13C NMR (62.5 MHz, CDCl3), delta: 14.2, 22.8, 25.0, 29.3, 29.4, 29.5, 31.9, 34.3, 63.5, 69.4, 69.5, 70.8, 73.4, 127.8, 127.9, 128.5, 138.3, 174.0 (COOR)

Reference： [1]Steroids,2013,vol. 78,p. 435 - 453

73
[ 103755-58-4 ]
[ 112-13-0 ]
[ 1578190-83-6 ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; dmap; In dichloromethane; at 20℃;	General procedure: Into a round-bottom flask were added 5.71mmolof alditolyl-triazole 12 or 21a in 50ml dichloromethane, 0.9mL of pyridine (2 eq.), 5.71mmolof acyl chloride and catalytic amount of DMAP. The mixture was stirred vigorously at room temperature, and the reaction progress was monitored by thin layer chromatography. Next, the mixture was washed with distilled water (3×100mL), saturated sodium bicarbonate solution (5×100mL), dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The product was purified via silica-gel column chromatography using gradient mixture of hexane-ethyl acetate, to afford the pure derivatives 13a-k and 22a-d.

Reference： [1]European Journal of Medicinal Chemistry,2014,vol. 74,p. 461 - 476
[2]European Journal of Medicinal Chemistry,2017,vol. 139,p. 698 - 717

74
[ 52-86-8 ]
[ 112-13-0 ]
Haloperidol decanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20℃;Inert atmosphere;	General procedure: The corresponding carboxylic or dicarboxylic acid (1.0 mmol) was dissolved in dry dichloromethane (5 ml) and oxalylchloride (0.17 ml, 2.0 mmol) was added under nitrogen atmosphere. The mixture was stirred for 24 hours at room temperature. After removing the solvent under reduced pressure, <strong>[52-86-8]haloperidol</strong>(940 mg, 2.5 mmol), dichloromethane (10 ml) and DIPEA (0.41 ml, 2.5 mmol) were added. After being stirred for 19 hours at room temperature the reaction mixture was treated with water and extracted with dichloromethane. The organic layer was washed with NaHCO3 (saturated solution) and brine. After being dried over Na2SO4 the solvent was removed under reduced pressure to obtain the crude product. Purification was performed using flash chromatography with dichloromethane/methanol as a solvent system.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2014,vol. 24,p. 3753 - 3756

75
[ 15318-45-3 ]
[ 112-13-0 ]
(2’R,3’R)-thiamphenicol-1’,3’-didecanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
61%	With dmap; triethylamine; In dichloromethane; at 20℃; for 1h;	General procedure: 4-(N,N-dimethylamino)pyridine (DMAP, 3.4 mg,0.028 mmol), Et3N (58 muL, 0.421 mmol) and thecorresponding anhydride 6a,b or acid chloride 6c-e(0.421 mmol) were added to a <strong>[15318-45-3]thiamphenicol</strong> (1, 100 mg,0.281 mmol) solution in dry CH2Cl2 (2.8 mL) undernitrogen atmosphere. The reaction was stirred at roomtemperature during 1 h and after that time the solvent wasevaporated in a rotary evaporator. The resulting crudewas purified by flash chromatography on silica gel (30%EtOAc/hexane) to afford the desired diester 7a (37%),7b (54%), 7c (61%), 7d (50%) and 7e (41%).

Reference： [1]Journal of the Brazilian Chemical Society,2014,vol. 25,p. 987 - 994

76
[ 56-92-8 ]
[ 112-13-0 ]
N-[2-(1H-imidazol-4-yl)ethyl]decanamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
97%	With triethylamine; In N,N-dimethyl-formamide; at 20℃; for 5h;Cooling with ice;	General procedure: A solution of fatty acid acyl chloride (1.0 mmol), purchased from Tokyo Chemical Industory (Tokyo, Japan), in N,N-dimethylformamide (DMF) (2 mL) was added dropwise to a suspension of histamine dihydrochlolide (2.0 mmol) and Et3N (8 mmol) in DMF (5 mL) cooled in an ice bath. In some cases (i.e., for the C18:1, C18:2 and C20:4 analogues), the acyl chlorides were prepared by reacting the free fatty acids with oxalyl chloride (5 eq, CH2Cl2, r.t., 3 h). The reaction mixture was stirred for 5 h at room temperature. Ice water was added to the mixture and the reaction mix was extracted with CHCl3. The organic layer was dried over Na2SO4 and the solvent was evaporated under reduced pressure. The residue was purified by silica gel column chromatography (CHCl3 : MeOH : aq. NH3=20 : 1 : 0.5) to give the corresponding N-acylhistamine.

Reference： [1]Chemical and Pharmaceutical Bulletin,2015,vol. 63,p. 278 - 285

77
[ 38330-80-2 ]
[ 112-13-0 ]
[ 76835-64-8 ]

Yield	Reaction Conditions	Operation in experiment
78%		General procedure: In brief: 32.80 g <strong>[38330-80-2]methyl potassium malonate</strong> (0.21 mol) was placed in a 1l flask under an Ar blanket. 300 ml MeCN was added and the mixture stirred and cooled to 10-15 °C. To this mixture 44.36 ml dry Et3N (32.40 g, 0.32 mol) was added followed by 23.81 g anhydrous MgCl2 (0.25 mol) and stirring continued at 20-25 °C for 2.5 h. The resulting slurry was recooled to 0 °C and the respective acid chloride (0.1 mol) added dropwise over 25min followed by the addition of 3 ml Et3N. The mixture was allowed to stir over night at 20-25 °C and then concentrated in vacuum to remove the MeCN. The residue was suspended in100 ml toluene and the resulting sludge reconcentrated in vacuum. Again 150 ml toluene was added and the mixture cooled to 10-15 °C. 150 ml aqueous HCl (13percent) was added cautiously while keeping the temperature below 25 °C. The aqueous layer was separated and the organic layer washed twice with 40 ml of 13percent aq. HCl and 40 ml water. The solution was then concentrated in vacuum to give the crude product which was purified by distillation or recrystallisation. The purity was checked by HPLC/MS.

Reference： [1]Tetrahedron Letters,2016,vol. 57,p. 808 - 810

78
[ 603-00-9 ]
[ 112-13-0 ]
1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propan-2-yl decanoate [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2016,vol. 81,p. 380 - 395

79
[ 98-55-5 ]
[ 112-13-0 ]
C₂₀H₃₆O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
30.83 g	In tetrahydrofuran; for 3h;	34.4 g (0.2 mol) of decanoic acid, 17.85 g (0.15 mol) of thionyl chloride was added, Mixed hook at 60 C for 3 hours, 20 ml of a tetrahydrofuran solution containing 15.4 g (0 lmo 1) alpha-<strong>[98-55-5]terpineol</strong> was added, Continue to react for 3 hours, The reaction solution was adjusted to pH 6-7 with NaOH solution. The organic layer was separated and the aqueous layer was extracted with ethyl acetate. The organic layers were combined, washed with saturated brine and dried over Na2S04 overnight. The solvent was evaporated and the column chromatography For 200 to 300 mesh), B petroleum ether and ethyl acetate (15: 1) as the eluent, and the eluent was distilled off to give 30.83 g of a colorless liquid, The yield was 93.5%.

Reference： [1]Patent: CN104447313,2016,B .Location in patent: Paragraph 0051; 0052

80
[ 506-59-2 ]
[ 112-13-0 ]
[ 14433-76-2 ]

Reference： [1]Angewandte Chemie - International Edition,2017,vol. 56,p. 3655 - 3659
Angew. Chem.,2017,vol. 129,p. 3709 - 3713,5

81
[ 76-37-9 ]
[ 201230-82-2 ]
[ 112-13-0 ]
C₁₇H₂₄F₈O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
98%		General procedure: At - 20 oC ( - 40 oC, or 0 oC), under atmospheric CO pressure, the acyl halide (0.5 - 2.0 mmol) was added to a stirred solution of CBr4·2AlBr3 (1-4 mmol) freshly prepared from CBr4 and AlBr3 in the molar ratio [2]:[1] in anhydrous CH2Br2 (1.5-3.6 mL) at room temperature. After stirring for 1-2 h at the same temperature under a CO atmosphere, the appropriate nucleophile was added to the in situ prepared carbonylation intermediate strictly under CO. The mixture was stirred for 10-20 min at -20 oC or at - 40 oC and then left to warm to 0 . Next, H2O (10 mL) and CHCl3 (30 mL) were carefully added to the mixture. The organic layer was separated and the remaining aqueous layer extracted with CHCl3 (10 mL). The combined organic extracts were washed with H2O until neutral, and dried over Na2SO4. The structures of the products were established by 1H, 13C, and 19F NMR spectroscopy, and from GC-MS spectra; conversions and isomeric ratios were determined by GC. To perform NMR measurements, all the solvents and highly volatile compounds were removed under reduced pressure. In some cases, in order to remove by-products, the product was washed with a suitable solvent and dried under vacuum or was purified by column chromatography (silica gel) using hexane-acetone as an eluent. The yields of the products were determined by 1H NMR spectroscopy with mesitylene as an internal standard In the presented below experiments, carbonylation of acyl halides was carried out at - 20 0 C for 1.45 h. Other carbonylation conditions are indicated in each case

Reference： [1]Tetrahedron Letters,2017,vol. 58,p. 4014 - 4019

82
[ 472-61-7 ]
[ 112-13-0 ]
[(1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-decanoyloxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] decanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
69%	With pyridine; In dichloromethane; at 20℃;	10 g (16.75 mmol) of astaxanthin 2 and 4.37 g (55.29 mmol) of pyridine are charged in 111.4 g of dichloromethane and 10.65 g (50.26 mmol) of decanoyl chloride are added dropwise at 20 C. over 5 minutes. The reaction mixture is allowed to react overnight, the mixture diluted with 111.4 g of dichloromethane, 0.54 g of methanol and, 30 mm later, 16.8 g of water are added and the phases separated. The lower phase is washed with 17.59 g of 10% hydrochloric acid and then twice with 16.75 g of water. The organic phase is rotary evaporated at 50 C., the residue is taken up in ca. 250 ml of t-butyl methyl ether and again thlly concentrated. The residue is dissolved in 67 ml of t-butyl methyl ether and 201 ml of ethanol is added dropwise. The mixture is heated to 45 C. and then cooled to 0 C. over 17 h. The precipitated crystalline solid is filtered off under suction, washed twice with 150 ml of ethanol each time and dried at 40 C. in a vacuum drying cabinet. 10.4 g (69% yield) of astaxanthin didecanoate (m.p. 104.8 C.) are obtained.

Reference： [1]Patent: US2017/305849,2017,A1 .Location in patent: Paragraph 0118

83
[ 1404-90-6 ]
[ 112-13-0 ]
N₃-decanoylvancomycin [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
40 mg	With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 2h;Cooling with ice; Inert atmosphere;	Step 1: commercially available <strong>[1404-90-6]vancomycin</strong> (100 mg) and DIPEA (30 muL) were dissolved in 3 mL of DMF. After the solution became clear, 15 muL of decanoyl chloride was added in three portions under ice-water bath and the reaction was stirred for 2h under argon. The reaction mixture was added with diethyl ether (50 mL) to generate precipitates, which was filtered to give a crude. The crude was purified by reverse-phase C18 HPLC and lyophilized to give Van-i (40 mg) as a white solid. HPLC: C18 column (5 mum, 4.6 x 250 mm), UV detection at 214 nm, elution conditions: a gradient of 2-90% acetonitrile containing 0.1% v/v TFA over 30 min. HRMS (ESI+) calculated for C76H93Cl2N9O25 [M+2H]2+ 1601.5660, found 801.7908. 1H NMR (600 MHz, DMSO-d6) delta 8.63 (d, J = 4.8 Hz, 1H), 7.80 (d, J = 2.0 Hz, 1H), 7.49 - 7.38 (m, 2H), 7.34 (d, J = 8.3 Hz, 1H), 7.22 (s, 1H), 7.16 (s, 2H), 7.00 (d, J = 8.3 Hz, 1H), 6.76 (dd, J = 8.4, 2.2 Hz, 1H), 6.70 (d, J = 8.4 Hz, 2H), 6.39 (d, J = 2.3 Hz, 1H), 6.22 (d, J = 2.3 Hz, 1H), 5.69 (d, J = 8.2 Hz, 1H), 5.48 (d, J = 2.0 Hz, 1H), 5.29 - 5.16 (m, 4H), 5.13 (d, J = 4.7 Hz, 1H), 5.08 (s, 1H), 4.77 (dd, J = 9.5, 4.7 Hz, 1H), 4.66 (q, J = 6.5 Hz, 1H), 4.45 (d, J = 5.5 Hz, 1H), 4.41 (d, J = 5.8 Hz, 1H), 4.18 (s, 1H), 3.64 (d, J = 10.9 Hz, 1H), 3.59 - 3.47 (m, 3H), 3.25 (d, J = 5.8 Hz, 2H), 3.13 (s, 1H), 2.82 (s, 3H), 2.42 - 2.29 (m, 2H), 2.18 (s, 1H), 2.14 - 2.07 (m, 1H), 1.88 (d, J = 10.3 Hz, 1H), 1.70 (d, J = 13.1 Hz, 1H), 1.57 (d, J = 7.8 Hz, 3H), 1.46 (dt, J = 13.7, 7.6 Hz, 1H), 1.42 - 1.34 (m, 1H), 1.30 (dd, J = 9.8, 5.6 Hz, 2H), 1.26 (s, 3H), 1.21 (td, J = 14.5, 11.7, 5.6 Hz, 10H), 1.05 (d, J = 6.4 Hz, 3H), 0.85 (dd, J = 6.7, 2.5 Hz, 3H), 0.84 - 0.79 (m, 3H), 0.77 (d, J = 6.5 Hz, 3H).

Reference： [1]Patent: EP3450450,2019,A1 .Location in patent: Paragraph 0138; 0139

84
[ 112-13-0 ]
[ 180683-64-1 ]
C₂₁H₄₀N₂O₃ [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2019,vol. 141,p. 6302 - 6309

85
[ 2418-95-3 ]
[ 112-13-0 ]
N-2-decanoyl-N-6-tert-butoxycarbonyl-L-lysine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
86%	With potassium carbonate; In tetrahydrofuran; water; for 1h;	2.7 g of potassium carbonate and 9 ml of water were sequentially added to the reaction flask.9 ml of tetrahydrofuran, 1.0 g (4.06 mmol) of N-6-tert-butoxycarbonyl-L-lysine, 0.95 g of decadecanoyl chloride was added dropwise at room temperature, and the reaction was carried out for 1 hour.After completion of the reaction, the tetrahydrofuran was removed under reduced pressure at 30-40 C, and the pH was adjusted to 2.0 with hydrochloric acid, suction filtration, and the filter cake was dried.N-2-decanoyl-N-6-tert-butoxycarbonyl-L-lysineThe acid was 1.6 g, the yield was 86%, and the purity was 98.7%.

Reference： [1]Patent: CN109734627,2019,A .Location in patent: Paragraph 0039; 0040

86
[ 112-13-0 ]
[ 226410-00-0 ]
methyl 3-chloro-4-decanoyl-1H-pyrrole-2-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
71%	With aluminum (III) chloride; In dichloromethane; at 0 - 20℃; for 72h;	To a cooled (0 C) solution of decanoyl chloride (Intermediate 3a, 308 mg, 1.62 mmol) in DCM (4 mL) was added aluminium(lll) chloride (395 mg, 2.96 mmol) followed by the addition of a solution of methyl 3-chloro-1 H-pyrrole-2-carboxylate (215 mg, 1 .35 mmol) in DCM (4 mL) and the resulting mixture was stirred at room temperature for three days. 1 N Hydrochloric acid solution (1 mL) was then added and the mixture was extracted with EtOAc (x3). The combined organic extracts were washed with water and brine, dried over magnesium sulfate, filtered and the solvent was evaporated to dryness. The residue was purified by flash chromatography (hexanes/diethyl ether) to yield the title compound (300 mg, 71 %) as a white solid.MS (m/z): 314/316 [M+1/M+3]' 1 H-NMR 5 (400 MHz, CDCI3): 0.98-0.69 (m, 3H), 1.44-1.18 (m, 12H), 1.69 (p, J=7 Hz, 2H), 2.97-2.76 (m, 2H), 3.93 (s, 3H), 7.52 (d, J=4 Hz, 1 H), 9.36 (s, 1 H).

Reference： [1]Patent: WO2019/115405,2019,A1 .Location in patent: Page/Page column 57; 58

87
[ 112-13-0 ]
[ 83558-87-6 ]
C₃₅H₄₈F₆N₂O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In tetrahydrofuran; at -10 - 20℃; for 4h;	General procedure: First, 10.9 g (0.1 mole) of 2-aminophenol was dissolved in 200 mL of tetrahydrofuran (THF) and 30.4 g (0.3 mole) of triethyl amine. Then, a solution of 19.1 g (0.1 mole) of decanoyl chloride dissolved in 100 mL of THF was added dropwise at a temperature of -10 C. or below. After the end of the dropwise addition, the reaction was continued at room temperature for 4 hours. Subsequently, a 1% hydrochloric acid solution was added, and the reaction solution was extracted with ethyl acetate to remove the solvent, followed by vacuum drying the resulting solid at 50 C. to provide an amido-phenol compound (b1-1) as represented by the formula given below.

Reference： [1]Patent: US2019/241716,2019,A1 .Location in patent: Paragraph 0184; 0185

88
[ 491833-29-5 ]
[ 112-13-0 ]
(1R,2R)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-octanamido-3-(pyrrolidin-1-yl)propyl decanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
45%	With triethylamine; In tetrahydrofuran; at 5 - 20℃;Inert atmosphere;	Eliglustat (0.300 g) was dissolved in THF (6 ml) at room temperature under nitrogen atmosphere. TEA (0.186 g) was added and the reaction mass was cooled to 5-10 C under nitrogen atmosphere. Decanoyl chloride (0.211 g) in THF (1 ml) was drop wise added at 5-10 C, within 5-10 min off-white yellow colored suspension formed after completion of addition. The reaction mass was stirred at room temperature for 16-18 hrs. After completion of the reaction, the reaction mass was poured into water (10 ml) and product was extracted by dichloromethane (5 ml 2). The organic layer was separated, washed with saturated NaHCCE solution (5 ml 2). The organic layer was separated, dried over sodium sulphate and dried under vacuum at 40 C for 30 minutes to afford the crude product. The crude product was purified by column chromatography using silica gel (100-200 mesh) with elution of 3-4% MeOH in dichloromethane to get pure product (0.190 g). Mass (m/z): 559.3 [M+H] Yield: 45%

Reference： [1]Patent: WO2019/211778,2019,A2 .Location in patent: Page/Page column 36-37

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H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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