[ CAS No. 2431-96-1 ] {[proInfo.proName]}

Name: 2431-96-1|N,N-Diethyl-2-phenylacetamide|97%
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SKU: A539972
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3d Animation Molecule Structure of 2431-96-1

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Quality Control of [ 2431-96-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 2431-96-1 ]

Product Details of [ 2431-96-1 ]

CAS No. :	2431-96-1	MDL No. :	MFCD00192031
Formula :	C₁₂H₁₇NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UXDAWVUDZLBBAM-UHFFFAOYSA-N
M.W :	191.27	Pubchem ID :	17076
Synonyms :

Calculated chemistry of [ 2431-96-1 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.42
Num. rotatable bonds :	5
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	58.54
TPSA :	20.31 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.76 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.43
Log Po/w (XLOGP3) :	2.4
Log Po/w (WLOGP) :	2.1
Log Po/w (MLOGP) :	2.45
Log Po/w (SILICOS-IT) :	2.36
Consensus Log Po/w :	2.35

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.53
Solubility :	0.571 mg/ml ; 0.00299 mol/l
Class :	Soluble
Log S (Ali) :	-2.47
Solubility :	0.651 mg/ml ; 0.0034 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.67
Solubility :	0.0405 mg/ml ; 0.000212 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.19

Safety of [ 2431-96-1 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 2431-96-1 ]

* 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.

Downstream synthetic route of [ 2431-96-1 ]

[ 2431-96-1 ] Synthesis Path-Downstream 1~88

1
[ 60-29-7 ]
[ 2431-96-1 ]
phenylmagnesium bromide [ No CAS ]
[ 451-40-1 ]

Reference： [1]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1926,vol. 182,p. 1395
Annales de Chimie (Cachan, France),1928,vol. <10> 9,p. 69,76

2
[ 2431-96-1 ]
[ 5300-21-0 ]

Reference： [1]Chemical Communications,2018,vol. 54,p. 5855 - 5858
[2]Archiv der Pharmazie,1927,p. 390,400
Chemisches Zentralblatt,1924,vol. 95,p. 1404
[3]Organic and Biomolecular Chemistry,2012,vol. 10,p. 6504 - 6511

3
[ 109-89-7 ]
[ 103-80-0 ]
[ 2431-96-1 ]

Yield	Reaction Conditions	Operation in experiment
93%	With silver(I) acetate; sodium acetate; In diethyl ether; at 20℃; for 0.25h;Inert atmosphere; Darkness;	General procedure: N,N-Diethylamine (1mmol), silver acetate (1mmol) and sodium acetate (2mmol) were added to a solution of benzoyl chloride (1mmol) in diethyl ether (10mL). The heterogeneous mixture was magnetically stirred at room temperature for 15 minutes, preserving the reaction flask from exposure to light. After this time, a white precipitate was formed and TLC (diethyl ether/P.E. 70:30 v/v) showed the complete conversion of the starting chloride. The mixture was paper filtered, washed with 1N aqueous HCl (3×5mL), 1N aqueous NaOH (3×5mL) and once with brine (5mL). The ethereal layers were dried (Na2SO4) and evaporated to dryness under reduced pressure conditions. N,N-Diethylbenzamide (1) was recovered as a viscous colorless oil without need for chromatography. Yield: 92%; TLC: Rf=0.77; 1H NMR (300MHz, CDCl3) delta: 7.31-7.40 (m, 5H, ArH), 3.52 (m, 2H, CH2), 3.23 (m, 2H, CH2), 1.25 (m, 3H, CH3) 1.10 (m, 3H, CH3); 13C NMR (75MHz, CDCl3) delta: 171.3, 137.2, 129.1, 128.4, 126.2, 43.3, 39.2, 14.2, 12.9. MS (EI, 70eV) m/z (% rel.): 177 [M+], 176 (49), 162 (8), 148 (16), 134 (12), 105 (100), 77 (48), 51 (21). Anal. Calcd for C11H15NO: , 74.54; , 8.53; N, 7.90. Found: , 74.65; , 8.51; N, 7.88.

Reference： [1]Tetrahedron Letters,2014,vol. 56,p. 199 - 202
[2]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1999,vol. 38,p. 257 - 259
[3]Acta Chemica Scandinavica (1947),1960,vol. 14,p. 1129 - 1150
[4]Monatshefte fur Chemie,2003,vol. 134,p. 403 - 409
[5]Chemical Communications,2009,p. 1574 - 1576
[6]Chemical Communications,2013,vol. 49,p. 1654 - 1656
[7]Journal of Organic Chemistry,2016,vol. 81,p. 9206 - 9218

5
[ 3364-78-1 ]
[ 2431-96-1 ]
N,N-diethyl-2-phenyl-3-thiazol-2-yl-propionamide [ No CAS ]

Reference： [1]Acta Chemica Scandinavica (1947),1960,vol. 14,p. 1129 - 1150

6
[ 103-82-2 ]
[ 33641-61-1 ]
[ 2431-96-1 ]

Reference： [1]Farmaco, Edizione Scientifica,1971,vol. 26,p. 153 - 155

7
[ 103-82-2 ]
[ 21954-69-8 ]
[ 2431-96-1 ]

Reference： [1]Journal fur praktische Chemie (Leipzig 1954),1961,vol. 14,p. 55 - 59

8
[ 615-20-3 ]
[ 2431-96-1 ]
[ 98275-10-6 ]

Reference： [1]Acta Chemica Scandinavica (1947),1960,vol. 14,p. 1129 - 1150

9
[ 1440-61-5 ]
[ 2431-96-1 ]
[ 93990-67-1 ]

Reference： [1]Acta Chemica Scandinavica (1947),1960,vol. 14,p. 1129 - 1150

10
[ 592-55-2 ]
[ 2431-96-1 ]
[ 94430-27-0 ]

Reference： [1]Acta Chemica Scandinavica (1947),1960,vol. 14,p. 1129 - 1150

11
[ 2855-08-5 ]
[ 2431-96-1 ]
[ 94261-00-4 ]

Reference： [1]Acta Chemica Scandinavica (1947),1960,vol. 14,p. 1129 - 1150

12
[ 2431-96-1 ]
[ 542-18-7 ]
[ 88781-10-6 ]

Reference： [1]Acta Chemica Scandinavica (1947),1960,vol. 14,p. 1129 - 1150

13
[ 4696-96-2 ]
[ 2431-96-1 ]

Reference： [1]Journal of the Chemical Society, Section D: Chemical Communications,1971,p. 1113 - 1114

14
[ 2431-96-1 ]
[ 100-44-7 ]
[ 94913-97-0 ]

Reference： [1]Acta Chemica Scandinavica (1947),1960,vol. 14,p. 1129 - 1150

15
[ 2431-96-1 ]
[ 104-83-6 ]
[ 94379-44-9 ]

Reference： [1]Acta Chemica Scandinavica (1947),1960,vol. 14,p. 1129 - 1150

16
[ 2431-96-1 ]
[ 104-77-8 ]
[ 94434-92-1 ]

Reference： [1]Acta Chemica Scandinavica (1947),1960,vol. 14,p. 1129 - 1150

17
[ 2431-96-1 ]
[ 107-82-4 ]
[ 93735-66-1 ]

Reference： [1]Acta Chemica Scandinavica (1947),1960,vol. 14,p. 1129 - 1150

18
[ 2431-96-1 ]
[ 2620-05-5 ]
[ 106438-10-2 ]

Reference： [1]Acta Chemica Scandinavica (1947),1960,vol. 14,p. 1129 - 1150

19
[ 673-22-3 ]
[ 2431-96-1 ]
[ 2555-22-8 ]

Reference： [1]Synthetic Communications,1984,vol. 14,p. 407 - 412

20
[ 4720-68-7 ]
[ 2431-96-1 ]
[ 92462-64-1 ]

Reference： [1]Synthetic Communications,1984,vol. 14,p. 407 - 412

21
[ 16619-19-5 ]
[ 2431-96-1 ]
5-Morpholin-4-yl-5-oxo-2,3-diphenyl-pentanoic acid diethylamide [ No CAS ]
5-Morpholin-4-yl-5-oxo-2,3-diphenyl-pentanoic acid diethylamide [ No CAS ]

Reference： [1]Monatshefte fur Chemie,1981,vol. 112,p. 125 - 128
[2]Monatshefte fur Chemie,1981,vol. 112,p. 125 - 128

22
[ 79835-12-4 ]
[ 2431-96-1 ]
[ 114284-70-7 ]

Reference： [1]Synthesis,1987,p. 810 - 811

23
[ 2431-96-1 ]
[ 22608-86-2 ]
[ 114284-75-2 ]

Reference： [1]Synthesis,1987,p. 810 - 811

24
[ 2431-96-1 ]
[ 105575-92-6 ]
[ 105576-04-3 ]

Reference： [1]Tetrahedron Letters,1986,vol. 27,p. 775 - 778

25
[ 2431-96-1 ]
N,N-Diethyl-2-phenyl-acetamide; compound with GENERIC INORGANIC NEUTRAL COMPONENT [ No CAS ]

Reference： [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1987,vol. 26,p. 674 - 675

26
[ 2431-96-1 ]
[ 2019-69-4 ]
[ 65-85-0 ]

Reference： [1]Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry,1983,vol. 37,p. 509 - 518

27
[ 2431-96-1 ]
[ 82489-29-0 ]

Reference： [1]Organometallics,2019,vol. 38,p. 852 - 862
[2]Organometallics,2015,vol. 34,p. 4895 - 4907
[3]Journal of Organometallic Chemistry,1982,vol. 228,p. 301 - 308

28
[ 100-39-0 ]
[ 112081-91-1 ]
[ 2431-96-1 ]

Reference： [1]Bulletin des Societes Chimiques Belges,1987,vol. 96,p. 303 - 310

29
[ 2431-96-1 ]
[ 90-02-8 ]
[ 955-10-2 ]

Reference： [1]Synthetic Communications,1987,vol. 17,p. 1951 - 1958
[2]Synthetic Communications,1984,vol. 14,p. 407 - 412

30
[ 2431-96-1 ]
[ 2923-28-6 ]
[ 98-88-4 ]
Trifluoro-methanesulfonate(1-benzoyloxy-2-phenyl-ethylidene)-diethyl-ammonium; [ No CAS ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1980,p. 790 - 791

31
[ 2431-96-1 ]
[ 148-53-8 ]
[ 23000-32-0 ]

Reference： [1]Synthetic Communications,1984,vol. 14,p. 407 - 412

32
[ 2431-96-1 ]
[ 1467-79-4 ]
{Chloro-[1-diethylamino-2-phenyl-eth-(E)-ylideneamino]-methylene}-dimethyl-ammonium; perchlorate [ No CAS ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1984,p. 1105 - 1107

33
[ 103-82-2 ]
[ 109-89-7 ]
[ 2431-96-1 ]

Reference： [1]Organic Letters,2020
[2]Tetrahedron Letters,1993,vol. 34,p. 5193 - 5196
[3]Synthesis,2003,p. 272 - 276
[4]Journal of Organic Chemistry,1981,vol. 46,p. 1215 - 1217
[5]Organic Letters,2017,vol. 19,p. 3815 - 3818

34
[ 109-89-7 ]
[ 115335-20-1 ]
[ 55-18-5 ]
[ 2431-96-1 ]
[ 100-47-0 ]

Reference： [1]Polish Journal of Chemistry,1987,vol. 61,p. 631 - 635

35
[ 201230-82-2 ]
[ 109-89-7 ]
[ 100-51-6 ]
[ 2431-96-1 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1982,vol. 55,p. 643 - 644

36
[ 109-89-7 ]
[ 101-41-7 ]
[ 2431-96-1 ]

Reference： [1]Angewandte Chemie,1986,vol. 98,p. 569 - 570
[2]Chemische Berichte,1989,vol. 122,p. 1357 - 1364
[3]Journal of Organic Chemistry,1992,vol. 57,p. 6101 - 6103

37
[ 2431-96-1 ]
[ 708-06-5 ]
[ 13759-56-3 ]

Reference： [1]Synthetic Communications,1984,vol. 14,p. 407 - 412

38
[ 75-44-5 ]
[ 2431-96-1 ]
[ 19698-34-1 ]

Reference： [1]Tetrahedron,1968,vol. 24,p. 4217 - 4221

39
[ 19713-73-6 ]
[ 2431-96-1 ]
(3R,4R)-4-Diethylcarbamoyl-3,4-diphenyl-butyric acid methyl ester [ No CAS ]
(3S,4R)-4-Diethylcarbamoyl-3,4-diphenyl-butyric acid methyl ester [ No CAS ]

Reference： [1]Tetrahedron,1994,vol. 50,p. 7193 - 7202
[2]Tetrahedron,1994,vol. 50,p. 7193 - 7202

40
[ 2431-96-1 ]
[ 103-26-4 ]
(3R,4R)-4-Diethylcarbamoyl-3,4-diphenyl-butyric acid methyl ester [ No CAS ]
(3S,4R)-4-Diethylcarbamoyl-3,4-diphenyl-butyric acid methyl ester [ No CAS ]

Reference： [1]Tetrahedron,1994,vol. 50,p. 7193 - 7202

41
N,N-diethyl-2,3,3-triphenylpropanamide [ No CAS ]
[ 2431-96-1 ]
[ 101-81-5 ]

Reference： [1]Liebigs Annales,1995,p. 877 - 880

42
[ 2431-96-1 ]
[ 2019-69-4 ]

Reference： [1]Bulletin de la Societe Chimique de France,1996,vol. 133,p. 15 - 24

43
[ 2431-96-1 ]
[ 140244-83-3 ]
[ 177540-47-5 ]

Reference： [1]Tetrahedron,1996,vol. 52,p. 5889 - 5898

44
[ 5330-97-2 ]
[ 109-89-7 ]
[ 2431-96-1 ]

Reference： [1]Tetrahedron Letters,1996,vol. 37,p. 9287 - 9290

45
[ 74-96-4 ]
[ 5465-00-9 ]
[ 2431-96-1 ]

Reference： [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1996,vol. 35,p. 1201 - 1204
[2]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1996,vol. 35,p. 1201 - 1204
[3]Russian Journal of Organic Chemistry,1998,vol. 34,p. 1513 - 1514

46
[ 38042-52-3 ]
[ 660-68-4 ]
[ 2431-96-1 ]

Reference： [1]Tetrahedron,1997,vol. 53,p. 7843 - 7854

47
[ 64-17-5 ]
[ 2431-96-1 ]
[ 101-97-3 ]

Reference： [1]Synlett,1998,p. 163 - 165

48
[ 3496-32-0 ]
[ 109-89-7 ]
[ 2431-96-1 ]

Reference： [1]Journal of the American Chemical Society,1998,vol. 120,p. 1827 - 1834

49
[ 77-85-0 ]
[ 2431-96-1 ]
1-Benzyl-4-methyl-2,6,7-trioxa-bicyclo[2.2.2]octane [ No CAS ]

Reference： [1]Tetrahedron Letters,1997,vol. 38,p. 8499 - 8502

50
[ 100-58-3 ]
2,2-Dibromo-N,N-diethyl-propionamide [ No CAS ]
[ 2431-96-1 ]

Reference： [1]Journal of Organic Chemistry,1998,vol. 63,p. 910 - 911

53
[ 81054-12-8 ]
/PMCHJ₂₃₉--570/ [ No CAS ]
[ 2431-96-1 ]

Reference： [1]Journal of Organic Chemistry,1998,vol. 63,p. 910 - 911

54
[ 2431-96-1 ]
[ 538-51-2 ]
N,N-diethyl-2,3-diphenyl-3-phenylamino-propionamide [ No CAS ]

Reference： [1]Journal of Chemical Research - Part S,2000,p. 133 - 135

55
[ 2431-96-1 ]
[ 891-32-7 ]
N,N-diethyl-3-(naphthalen-2-ylamino)-2,3-diphenyl-propionamide [ No CAS ]

Reference： [1]Journal of Chemical Research - Part S,2000,p. 133 - 135

56
[ 2431-96-1 ]
[ 20033-74-3 ]
(E)-2-(N,N-diethyl-1-carbamoyl-1-phenylmethylidene)-3-(3-phenylimino)-1H-indole [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2001,p. 3953 - 3959

57
[ 2431-96-1 ]
[ 7472-70-0 ]
(E)-2-(N,N-diethyl-1-carbamoyl-1-phenylmethylidene)-5-methyl-3-(p-tolylimino)-1H-indole [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2001,p. 3953 - 3959

58
[ 2431-96-1 ]
[ 401585-34-0 ]
(E)-2-(N,N-diethyl-1-carbamoyl-1-phenylmethylidene)-7-methyl-3-(2-tolylimino)-1H-indole [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2001,p. 3953 - 3959

59
[ 2431-96-1 ]
N,N'-bis(2,4-dimethylphenyl)ethane-bis(imidoyl) dichloride [ No CAS ]
(E)-2-(N,N-diethyl-1-carbamoyl-1-phenylmethylidene)-5-methoxy-3-(4-methoxyphenylimino)-1H-indole [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2001,p. 3953 - 3959

60
[ 2431-96-1 ]
2-dichlorophosphoryl-1,1-diethyl-3-phenyl-1-azapropenylium chloride [ No CAS ]

Reference： [1]Monatshefte fur Chemie,2003,vol. 134,p. 403 - 409

61
[ 78258-15-8 ]
[ 591-51-5 ]
[ 2431-96-1 ]

Reference： [1]Synthesis,2005,p. 824 - 839

62
[ 685-91-6 ]
[ 108-86-1 ]
[ 2431-96-1 ]

Reference： [1]Advanced Synthesis and Catalysis,2014,vol. 356,p. 165 - 178
[2]Tetrahedron Letters,2006,vol. 47,p. 5049 - 5053

63
[ 2431-96-1 ]
[ 100-52-7 ]
N,N-diethyl-3-hydroxy-2,3-diphenylpropionamide [ No CAS ]

Reference： [1]Tetrahedron Letters,2006,vol. 47,p. 5049 - 5053

64
[ 103-82-2 ]
N^a-Fmoc-His-D-Phe-Arg-Trp-resin conjugate [ No CAS ]
[ 2431-96-1 ]

Reference： [1]Monatshefte fur Chemie,2003,vol. 134,p. 403 - 409

65
[ 2431-96-1 ]
3-(N,N-diethylamino)-1-(N,N-dimethylamino)isoquinoline [ No CAS ]

Reference： [1]Monatshefte fur Chemie,2003,vol. 134,p. 403 - 409

66
[ 2431-96-1 ]
C₁₅H₂₂ClN₃*Cl₂HO₂P [ No CAS ]

Reference： [1]Monatshefte fur Chemie,2003,vol. 134,p. 403 - 409

67
[ 2431-96-1 ]
[ 34906-86-0 ]

Reference： [1]Tetrahedron,1996,vol. 52,p. 5889 - 5898

68
[ 2431-96-1 ]
[ 177540-38-4 ]

Reference： [1]Tetrahedron,1996,vol. 52,p. 5889 - 5898

69
[ 2431-96-1 ]
[ 71644-60-5 ]

Reference： [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1987,vol. 26,p. 674 - 675

70
[ 2431-96-1 ]
[ 33257-85-1 ]

Reference： [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1987,vol. 26,p. 674 - 675

71
[ 13839-14-0 ]
[ 2431-96-1 ]

Reference： [1]Bulletin des Societes Chimiques Belges,1987,vol. 96,p. 303 - 310

72
[ 3010-02-4 ]
[ 2431-96-1 ]

Reference： [1]Bulletin des Societes Chimiques Belges,1987,vol. 96,p. 303 - 310

73
[ 2431-96-1 ]
[ 105575-97-1 ]

Reference： [1]Tetrahedron Letters,1986,vol. 27,p. 775 - 778

74
[ 2431-96-1 ]
1-Diaethylamino-2-phenyl-5,5-dimethylhexan [ No CAS ]

Reference： [1]Acta Chemica Scandinavica (1947),1960,vol. 14,p. 1129 - 1150

75
[ 88945-10-2 ]
[ 2431-96-1 ]
[ 410094-37-0 ]

Reference： [1]Journal of Organometallic Chemistry,2002,vol. 641,p. 90 - 101

76
[ 2431-96-1 ]
[ 5300-21-0 ]
[ 82489-29-0 ]

Reference： [1]Chemical Communications,2009,p. 1574 - 1576
[2]Organometallics,2015,vol. 34,p. 4895 - 4907

77
[ 201230-82-2 ]
[ 100-44-7 ]
[ 109-89-7 ]
[ 2431-96-1 ]
[ 772-54-3 ]

Reference： [1]Tetrahedron Letters,2010,vol. 51,p. 371 - 373

78
[ 53607-34-4 ]
[ 109-89-7 ]
[ 2431-96-1 ]

Reference： [1]Organic Letters,2014,vol. 16,p. 4714 - 4717
[2]Nature,2010,vol. 465,p. 1027 - 1032

79
[ 109-89-7 ]
[ 932-87-6 ]
[ 2431-96-1 ]

Yield	Reaction Conditions	Operation in experiment
92%	With water; at 120℃; for 6h;	General procedure: The mixture of 1-bromoalkyne (1 mmol) and amine (1.5 mmol) in water (2 mL) was stirred at 120 C for 6 h in a 25 mL schlenk tube. Water (8 mL) was added after completion of the reaction, the aqueous solution was extracted with diethyl ether (3×5 mL) and the combined extract was dried with anhydrous MgSO4. The solvent was removed and the crude product was separated by column chromatography to give the pure sample.

Reference： [1]Tetrahedron,2011,vol. 67,p. 5920 - 5927
[2]Chemical Communications,2014,vol. 50,p. 9887 - 9890

80
[ 121-44-8 ]
[ 932-87-6 ]
[ 2431-96-1 ]

Yield	Reaction Conditions	Operation in experiment
75%	With water; at 120℃; for 15h;	General procedure: The mixture of 1-bromoalkyne (1 mmol) and amine (1.5 mmol) in water (2 mL) was stirred at 120 C for 6 h in a 25 mL schlenk tube. Water (8 mL) was added after completion of the reaction, the aqueous solution was extracted with diethyl ether (3×5 mL) and the combined extract was dried with anhydrous MgSO4. The solvent was removed and the crude product was separated by column chromatography to give the pure sample.

Reference： [1]Tetrahedron,2011,vol. 67,p. 5920 - 5927

81
[ 89523-63-7 ]
[ 88-10-8 ]
[ 2431-96-1 ]

Yield	Reaction Conditions	Operation in experiment
68%	With bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; for 24h;Reflux;	A representative procedure: Into a 25 mL round-bottomed flask were added Pd(PPh3)2Cl2 (0.18 g, 5 mol %) and 10 mL of 4-ethoxycarbonylphenylzinc bromide chloride (0.5 M in THF, 5.0 mmol). Next, diethylcarbamoyl chloride (0.54 g, 4.0 mmol) was added via a syringe. The resulting mixture was stirred at refluxing temperature for 24 h. Cooled down to room temperature and quenched with saturated NH4Cl solution, then extracted with ethyl acetate (10 mL × 3). Washed with saturated Na2S2O3 solution and brine, then dried over anhydrous MgSO4. Purification by column chromatography on silica gel (20% ethyl acetate/80% heptane) afforded ethyl 4-(diethylcarbamoyl)benzoate (1c, 0.70 g) as a yellow oil in 70% isolated yield.

Reference： [1]Tetrahedron Letters,2012,vol. 53,p. 3478 - 3481

82
DIBAL-H*HNEt₂ hydrochloride [ No CAS ]
[ 101-97-3 ]
[ 2431-96-1 ]

Reference： [1]Organic and Biomolecular Chemistry,2012,vol. 10,p. 6504 - 6511

83
[ 103-82-2 ]
[ 2431-96-1 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 1654 - 1656
[2]Journal of Organic Chemistry,2016,vol. 81,p. 9206 - 9218

84
[ 2431-96-1 ]
[ 611-73-4 ]
[ 1422748-00-2 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 1654 - 1656

85
[ 2431-96-1 ]
[ 611-73-4 ]
[ 1422748-00-2 ]
[ 1422748-01-3 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 1654 - 1656

86
[ 2431-96-1 ]
[ 611-73-4 ]
[ 1422748-01-3 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 1654 - 1656

87
[ 103-82-2 ]
[ 88-10-8 ]
[ 2431-96-1 ]

Yield	Reaction Conditions	Operation in experiment
98%	With 1-methyl-1H-imidazole; at 20℃; for 0.5h;	16 g ( 1 Mole) of phenyl acetic acid and 136 g (= 127 ml. 1 Mole) N.N-dicthylcarbamoyl chloride are taken in a 1 liter two-necked round-bottom flask fitted with air condenser which is placed over a magnetic stirrer. To this, 98 g (96 ml, 1 .2 Mole) of 1-methylimidazole, which is an organic tertiary base is added using a pressure -equal izing funnel fitted in the side neck of the round bottom flask at room temperature. After complete addition, the reaction mixture is stirred constantly for 30 minutes at room temperature. The reaction mixture is then treated with 250 ml of water and the two layers are separated. Pure and colourless N,N-diethyl-2-phenylacetamide (DEPA) is obtained by vacuum distillation of organic layer which is the product. Purity of the compound is analyzed using GC-MS which is more than 99.5%. And yield of hr product is 1 87 g (98%).
98%	With 1-methyl-1H-imidazole; at 20℃; for 0.5h;	Example 1 Preparation of N,N-Diethyl-2-phenyl acetamide (DEPA) [0093] 136 g (1 Mole) of phenyl acetic acid and 136 g (=127 ml, 1 Mole) N,N-diethyl carbamoyl chloride are taken in a 1 liter two-necked round-bottom flask fitted with air condenser which is placed over a magnetic stirrer. To this, 98 g (96 ml, 1.2 Mole) of I-methylimidazole, which is an organic tertiary base is added using a pressure-equalizing funnel fitted in the side neck of the round bottom flask at room temperature. After complete addition, the reaction mixture is stirred constantly for 30 minutes at room temperature. The reaction mixture is then treated with 250 ml of water and the two layers are separated. Pure and colourless N,N-diethyl-2-phenylacetamide ( DEPA) is obtained by vacuum distillation of organic layer which is the product. [0094] Purity of the compound is analyzed using GC-MS which is more than 99.5%. And yield of hr product is 187 g (98%).

Reference： [1]Patent: WO2013/65059,2013,A1 .Location in patent: Page/Page column 12
[2]Patent: US2015/126734,2015,A1 .Location in patent: Paragraph 0093-0094

88
[ 536-74-3 ]
[ 2431-96-1 ]

Reference： [1]Organic and Biomolecular Chemistry,2012,vol. 10,p. 7928 - 7932
[2]Journal of Organic Chemistry,2015,vol. 80,p. 2448 - 2454

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P378
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
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P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
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H226	Flammable liquid and vapour
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H228	Flammable solid
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H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
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H250	Catches fire spontaneously if exposed to air
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H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 2431-96-1 ] {[proInfo.proName]}

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[ 2431-96-1 ] Synthesis Path-Downstream 1~88

Related Functional Groups of [ 2431-96-1 ]

Aryls

Amides

Amines

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[ 2431-96-1 ]