[ CAS No. 399-30-4 ] {[proInfo.proName]}

Name: 399-30-4|1-(2-Fluorophenyl)-N-methylmethanamine|98%
Brand: Ambeed
SKU: A282408
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2D 3D

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Quality Control of [ 399-30-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 399-30-4 ]

SDS Specification

Alternatived Products of [ 399-30-4 ]

Product Details of [ 399-30-4 ]

CAS No. :	399-30-4	MDL No. :	MFCD04629633
Formula :	C₈H₁₀FN	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	AHIHZCXUWGORQO-UHFFFAOYSA-N
M.W :	139.17	Pubchem ID :	2060842
Synonyms :

Calculated chemistry of [ 399-30-4 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.25
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	38.97
TPSA :	12.03 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) :	-5.98 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.01
Log Po/w (XLOGP3) :	1.65
Log Po/w (WLOGP) :	1.81
Log Po/w (MLOGP) :	2.3
Log Po/w (SILICOS-IT) :	2.25
Consensus Log Po/w :	2.01

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.05
Solubility :	1.23 mg/ml ; 0.00882 mol/l
Class :	Soluble
Log S (Ali) :	-1.52
Solubility :	4.24 mg/ml ; 0.0305 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.49
Solubility :	0.0448 mg/ml ; 0.000322 mol/l
Class :	Soluble

Medicinal Chemistry

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

Safety of [ 399-30-4 ]

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

Application In Synthesis of [ 399-30-4 ]

* 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 [ 399-30-4 ]
Downstream synthetic route of [ 399-30-4 ]

[ 399-30-4 ] Synthesis Path-Upstream 1~8

1
[ 1159505-77-7 ]
[ 399-30-4 ]

Yield	Reaction Conditions	Operation in experiment
86%	With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 10 h; Inert atmosphere; Reflux	Example 4 Synthesis of 2-Fluoro-N-methylbenzylamine 11 To a stirred solution of 16 (135.6 mg, 0.5 mmol, 1.0 equiv.) in dry THF (5 mL) was added LiAlH₄ (38 mg, 1.0 mmol, 2.0 equiv.) at 0° C. under nitrogen. The reaction mixture was then heated to reflux and stirred for 10 h. After cooling to r.t., the reaction mixture was quenched with water and extracted with diethyl ether (10 mL*3). 2-Fluoro-N-methylbenzylamine 11 was isolated by acid/basic extraction, using 2 N HCl and 2 N NaOH, and evaporation under vacuum (15 Ton) as colorless oil (60 mg, 86percent yield).

Reference： [1] Journal of the American Chemical Society, [2] Journal of the American Chemical Society, 2009, vol. 131, p. 7520 - 7521
[3] Patent: US2012/59179, 2012, A1, . Location in patent: Page/Page column 17

2
[ 446-48-0 ]
[ 74-89-5 ]
[ 399-30-4 ]

Reference： [1] Patent: US2012/196824, 2012, A1,
[2] Chemische Berichte, 1930, vol. 63, p. 2407,2410

3
[ 593-51-1 ]
[ 446-52-6 ]
[ 399-30-4 ]

Reference： [1] Journal of the Chemical Society - Perkin Transactions 1, 1998, # 16, p. 2527 - 2531
[2] Patent: WO2016/101885, 2016, A1, . Location in patent: Paragraph 0227; 0228; 0229; 0230; 0231; 0232

4
[ 153903-21-0 ]
[ 399-30-4 ]

Reference： [1] Patent: WO2005/95343, 2005, A1, . Location in patent: Page/Page column 40

5
[ 100-46-9 ]
[ 399-30-4 ]

Reference： [1] Patent: US2012/59179, 2012, A1,

6
[ 36457-58-6 ]
[ 399-30-4 ]

Reference： [1] Patent: US2012/59179, 2012, A1,

7
[ 345-35-7 ]
[ 74-89-5 ]
[ 399-30-4 ]

Reference： [1] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 13, p. 4693 - 4707

8
[ 1159505-61-9 ]
[ 399-30-4 ]

Reference： [1] Patent: US2012/59179, 2012, A1,

[ 399-30-4 ] Synthesis Path-Downstream 1~56

1
[ 446-48-0 ]
[ 74-89-5 ]
[ 399-30-4 ]

Yield	Reaction Conditions	Operation in experiment
87%	In tetrahydrofuran;	Reference Example 45 (2-fluorobenzyl)methylamine To tetrahydrofuran (5 ml) was added under ice-cooling with stirring 40% aqueous methylamine solution (5 ml) and 2-fluorobenzylbromide (1.00 g, 5.29 mmol) dissolved in tetrahydrofuran (2 ml), and the mixture was stirred at the same temperature for 1 hr. The reaction mixture was diluted with ethyl acetate, and the organic layer was washed with water and saturated brine, and dried over anhydrous magnesium sulfate. The insoluble material was filtered off, and the solution was concentrated under reduced pressure. The obtained oil was purified by silica gel column chromatography to give the title compound (0.65 g, yield 87%) as a colorless oil. 1H-NMR (300 MHz, CDCl3); delta(ppm) 2.43 (s, 3H), 3.79 (s, 2H), 7.01-7.12 (m, 2H), 7.21-7.25 (m, 1H), 7.29-7.33 (m, 1H).

Reference： [1]Patent: US2012/196824,2012,A1
[2]Chemische Berichte,1930,vol. 63,p. 2407,2410

2
[ 593-51-1 ]
[ 446-52-6 ]
[ 399-30-4 ]

Yield	Reaction Conditions	Operation in experiment
		[0229] Reagent and conditions: (a): (1) CH3NH2.HC1, K2C03, MeOH, rt, 1.Sh; (b): NaBH4 (c) 2, 2-dimethylbutanoyl chloride, DIEA, THF, rt, 2h.[0230] A mixture of K2C03 (207 mg, 1.5 mmoL) and methanamine hydrochloride (202mg, 3.0 mmoL) in 5 mL of MeOH was stirred at room temperature for 30 mm. Then 2- fluorobenzaldehyde (248 mg, 2.0 mmoL) was added to the mixture and stirred at room temperature for 1 h. The mixture was cooled to 0C, and NaBH4 (113.5 mg, 3.0 mmoL) was added in portions. The mixture was stirred at 0C for lh. The solid was filtered and washed with EtOAc. The filtrate was evaporated to dryness and the[0231] residue was dissolved in EtOAc and was washed with water, brine, dried over Na2SO4 The residue was dissolved in lOmL of dry THF. DIEA (264 mg, 2.05 mmoL) was added, 2,2- dimethylbutanoyl chloride (275 mg, 2.05 mmoL) was added slowly to the solution at 0C under nitrogen, then stirred at room temperature for 2 h. 15 mL of water was added to the solution and36extracted with EtOAc (10 mL x 3). The combined organic was washed with 1M HC1, brine, dried with Na2SO4 and concentrated in vacuo. The residue was purified by silica gel column chromatography (PE/EA= 1/2) to give the 230 mg of 1 as a brown solid (total yield = 45.1%). 1H NMR(CDC13, 400 M Hz):5 (ppm)7.22-7.28 (m, 2H), 7.01-7.12 (m, 2 H), 4.68 (s, 2 H), 3.05(s, 3H), 1.65 (q, 2H, J = 7.6 Hz), 1.27(s, 6H), 0.89(t, 3H, J = 7.6 Hz)LC-MS (ESI) [M+H] calad for C14H20FN0, 238.2; found, 238.4.

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1998,p. 2527 - 2531
[2]Patent: WO2016/101885,2016,A1 .Location in patent: Paragraph 0227; 0228; 0229; 0230; 0231; 0232

3
[ 399-30-4 ]
1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole methanesulfonate [ No CAS ]
2-(2,4-difluoro-phenyl)-1-[(2-fluoro-benzyl)-methyl-amino]-3-[1,2,4]triazol-1-yl-propan-2-ol [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 2512 - 2525

5
[ 847729-10-6 ]
[ 399-30-4 ]
methyl 4-{(1S)-1-[({5-chloro-2-[(2-fluorobenzyl)(methyl)amino]pyridin-3-yl}carbonyl)amino]ethyl}benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
86%	With N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 150℃; for 24h;	A mixture of methyl 4-((1S)-1[(2,5-dichloropyridin-3-yl)carbonyl]amino}ethyl)benzoate, (step 1 of Example 16, 204 mg, 0.58 mmol), (2-fluorobenzyl)methylamine (264 mg, 1.9 mmol), and diisoprpylethylamine (167 mg, 1.3 mmol) in dimethyl sulfoxide (5 mL) was heated at 150 C. in an oil bath for 24 hours. The reaction mixture was poured into water and the aqueous mixture was extracted with ethyl acetate. The organic extracts were washed with brine, dried (sodium sulfate), and concentrated. The residue was purified by flash column chromatography on silica gel eluding with hexane/ethyl acetate (4/1 to 2/1) to afford 222 mg (86%) of the title compound: 1H-NMR (CDCl3) 8.98 (1H, d, J=7.9 Hz), 8.30 (1H, d, J=2.6 Hz), 8.20 (1H, d, J=2.6 Hz), 7.93 (2H, d, J=8.3 Hz), 7.33 (2H, d, J=8.3 Hz), 7.40-7.14 (2H, m), 7.12-6.96 (2H, m), 5.40-5.20 (1H, m), 4.41 (2H, s), 3.89 (3H, s), 2.57 (3H, s), 1.49 (3H, d, J=7.0 Hz).

Reference： [1]Patent: US2005/250818,2005,A1 .Location in patent: Page/Page column 38

6
[ 153903-21-0 ]
[ 399-30-4 ]

Yield	Reaction Conditions	Operation in experiment
		PREPARATIONS; Example 1; Procedure for making an intermediate according to Scheme A. F F 1. Boc20, Et3N, DCM, rt H2N Y HN 2. LiAIH4, THF, reflux (2-Fluoro-benzyl)-methyl amine; To a solution of 300 mg (2.40 mmol) of 2-fluorobenzylamine, 29.3 mg (0.24 mmol) of 4- dimethylaminopyridine and 342 ul (2. 64 mmol) of triethylamine in 3 mL of dichloromethane is added 628 mg (2.88 mmol) of di (tert-butoxycarbonyl) in 3 mL of dichloromethane at 0 C. The reaction is allowed to react for 72 h and solvents are removed under reduced pressure. The crude product is dissolved in 5 mL of 1N hydrochloric acid solution and extracted three times with ethyl acetate. The organic phase is separated and washed with saturated sodium bicarbonate solution and brine and dried with sodium sulphate. Removal of the solvent affords (2-fluoro-benzyl)- carbamic acid tert-butyl ester, which is taken directly to the next step. To a solution of 250 mg (1.11 mmol) of the carbamic ester dissolved in 1 mL of tetrahydrofuran is added 1.66 mL of a 1 M lithium aluminiumhydride solution in tetrahydrofuran. The reaction mixture is stirred at room temperature until gas evolution has ceased and is further heated at reflux temperature for 3 h. After cooling to room temperature, 1N hydrochloric acid solution is added and the aqueous phase is extracted with dichloromethane. The aqueous phase is separated, a saturated sodium bicarbonate solution is added until pH reaches 7-8 and dichloromethane is added. The organic layer is extracted with brine and water, dried with sodium sulphate and concentrated under vacuum to obtain the title compound. LC/MS (III) rt 1.52, m/z 140 [M+H]+.

Reference： [1]Patent: WO2005/95343,2005,A1 .Location in patent: Page/Page column 40

7
[ 768-66-1 ]
[ 18776-12-0 ]
[ 399-30-4 ]
N-(2-fluorophenylmethyl)-3-hydroxy-N-methyl-3-phenylpropylamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In acetonitrile; petrol;	EXAMPLE 7 N-(2-Fluorophenylmethyl)-3-hydroxy-N-methyl-3-phenylpropylamine A mixture of N-methyl-o-fluorobenzylamine (27.8 g), 3-chloro-1-phenylpropan-1-ol(34.2 g), 2,2,6,6-tetramethylpiperidine (34.4 ml) and acetonitrile (500 ml) was refluxed for 48h. The mixture was cooled to room temperature, filtered and the solvent removed. The residue was partitioned between chloroform and aqueous sodium bicarbonate. The organic phase was dried and the solvent removed. The residue was dissolved in 60-80 petrol (150 ml) and allowed to crystallise yielding the title compound (32.4 g) which is cyclodehydrohalogenated as in Example 4.

Reference： [1]Patent: US4318909,1982,A

8
[ 906645-36-1 ]
[ 399-30-4 ]
[ 957113-03-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 5567 - 5572

9
[ 887703-77-7 ]
[ 399-30-4 ]
C₂₂H₂₁F₂N₃O₂ [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2008,vol. 51,p. 31 - 45

10
[ 399-30-4 ]
[ 1027544-26-8 ]
[ 1092060-54-2 ]

Reference： [1]European Journal of Medicinal Chemistry,2008,vol. 43,p. 2073 - 2081

11
[ 399-30-4 ]
[ 163630-97-5 ]
[ 1092060-66-6 ]

Reference： [1]European Journal of Medicinal Chemistry,2008,vol. 43,p. 2073 - 2081

12
[ 50-00-0 ]
[ 2845-82-1 ]
[ 399-30-4 ]
[ 1174903-49-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2009,vol. 17,p. 4693 - 4707

13
[ 345-35-7 ]
[ 74-89-5 ]
[ 399-30-4 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2009,vol. 17,p. 4693 - 4707

14
[ 1159505-77-7 ]
[ 399-30-4 ]

Yield	Reaction Conditions	Operation in experiment
86%	With lithium aluminium tetrahydride; In tetrahydrofuran; at 0℃; for 10h;Inert atmosphere; Reflux;	Example 4 Synthesis of 2-Fluoro-N-methylbenzylamine 11 To a stirred solution of 16 (135.6 mg, 0.5 mmol, 1.0 equiv.) in dry THF (5 mL) was added LiAlH4 (38 mg, 1.0 mmol, 2.0 equiv.) at 0 C. under nitrogen. The reaction mixture was then heated to reflux and stirred for 10 h. After cooling to r.t., the reaction mixture was quenched with water and extracted with diethyl ether (10 mL*3). 2-Fluoro-N-methylbenzylamine 11 was isolated by acid/basic extraction, using 2 N HCl and 2 N NaOH, and evaporation under vacuum (15 Ton) as colorless oil (60 mg, 86% yield).

Reference： [1]Journal of the American Chemical Society,2009,vol. 131,p. 7520 - 7521
[2]Patent: US2012/59179,2012,A1 .Location in patent: Page/Page column 17

15
[ 399-30-4 ]
[ 218608-98-1 ]
[ 866782-13-0 ]

Yield	Reaction Conditions	Operation in experiment
		Example 36; Step 1; [1-(R)-[(2-Fluoro-benzyl)-methyl-carbamoyl]-methyl}-2-(2-fluoro-phenyl)-ethyl]- carbamic acid tert-butyl ester. A mixture of 20.0 mg (0.07 mmol) of (3R)-tert-butoxycarbonylamino-4- [2-fluoro-phenyl]- butyric acid, 12.8 mg (0.09 mmol) of 1-hydroxybenzotriazole, 18.1 mg (0.09 mmol) of 1- ethyl-3- (3-dimethylaminopropyl) carbodiimide hydrochloride and 38 IlL (0.29 mmol) of diisopropylethylamine in 1.5 mL of N, N-dimethylformamide is stirred for 5 min. After addition of 11.8 mg (0.08 mmol) of (2-fluoro-benzyl)-methyl amine (Example 1) in 0.5 mL of N, N-dimethylformamide, the mixture is stirred for further 16 h. The solution is diluted with 5 mL of 1N hydrochloric acid solution and extracted twice with 10 mL of dichloromethane. The collected organic phases are washed with brine and water, dried over sodium sulphate and evaporated under reduced pressure. The residue is purified using flash chromatography (silica gel, eluent : 0% to 20% ethyl acetate in cyclohexane) to afford the title compound. LC/MS (la) rt 3.24, m/z 419 [M+H] +.

Reference： [1]Patent: WO2005/95343,2005,A1 .Location in patent: Page/Page column 65-66

16
(+/-)-1-(3,4-dichlorophenyl)-3-oxa-bicyclo[3.1.0]hexan-2-one [ No CAS ]
[ 399-30-4 ]
C₁₉H₁₈Cl₂FNO₂ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 1498 - 1501

17
[ 1313898-54-2 ]
[ 399-30-4 ]
[ 1313899-72-7 ]

Reference： [1]ACS Combinatorial Science,2011,vol. 13,p. 443 - 448

18
[ 100-46-9 ]
[ 399-30-4 ]

Reference： [1]Patent: US2012/59179,2012,A1

19
[ 36457-58-6 ]
[ 399-30-4 ]

Reference： [1]Patent: US2012/59179,2012,A1

20
[ 1159505-61-9 ]
[ 399-30-4 ]

Reference： [1]Patent: US2012/59179,2012,A1

21
[ 1361237-08-2 ]
[ 399-30-4 ]
[ 1383293-82-0 ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 2301 - 2310

22
[ 1361237-10-6 ]
[ 399-30-4 ]
[ 1383294-07-2 ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 2301 - 2310

23
[ 1361237-13-9 ]
[ 399-30-4 ]
[ 1361236-73-8 ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 2301 - 2310

24
[ 1361237-23-1 ]
[ 399-30-4 ]
[ 1383304-01-5 ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 2301 - 2310

25
[ 1361237-24-2 ]
[ 399-30-4 ]
C₂₂H₂₂FN₃O₅S₂ [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 2301 - 2310

26
[ 1361237-06-0 ]
[ 399-30-4 ]
[ 1383294-10-7 ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 2301 - 2310

27
[ 1426841-94-2 ]
[ 399-30-4 ]
[ 1426842-05-8 ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 24h;	General procedure: To a solution of carboxylic acid (50 mmol) in DMF (0.25 mL) in a 48 position Mettler Toledo XT reaction block was added PyBOP (50 mmol, 0.2 mL of 0.3 M solution in DMF) and TEA (75 mmol, 0.05 mL of 1.5 M solution in DMF) followed by the appropriate amine build blocks (55 mmol, 0.55 ml of 1 M solution in DMF). The reactions were stirred at rt 24 h and concentrated by GeneVac HT-4 to remove all reaction mixture including excess amine and DMF. The crude mixtures were dissolved in EtOAc (1 mL) and filtered through silica-packed short-column and washed with EtOAc (3 mL). The collected organic solution was concentrated in GeneVac HT-4 and dissolved in DMSO (1 mL). DMSO solution was subjected to HTAC for pre-purification analysis, purification, and final QC.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 1891 - 1895

28
[ 1426841-95-3 ]
[ 399-30-4 ]
[ 1426842-23-0 ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 24h;	General procedure: To a solution of carboxylic acid (50 mmol) in DMF (0.25 mL) in a 48 position Mettler Toledo XT reaction block was added PyBOP (50 mmol, 0.2 mL of 0.3 M solution in DMF) and TEA (75 mmol, 0.05 mL of 1.5 M solution in DMF) followed by the appropriate amine build blocks (55 mmol, 0.55 ml of 1 M solution in DMF). The reactions were stirred at rt 24 h and concentrated by GeneVac HT-4 to remove all reaction mixture including excess amine and DMF. The crude mixtures were dissolved in EtOAc (1 mL) and filtered through silica-packed short-column and washed with EtOAc (3 mL). The collected organic solution was concentrated in GeneVac HT-4 and dissolved in DMSO (1 mL). DMSO solution was subjected to HTAC for pre-purification analysis, purification, and final QC.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 1891 - 1895

29
[ 1426841-96-4 ]
[ 399-30-4 ]
[ 1426842-47-8 ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 24h;	General procedure: To a solution of carboxylic acid (50 mmol) in DMF (0.25 mL) in a 48 position Mettler Toledo XT reaction block was added PyBOP (50 mmol, 0.2 mL of 0.3 M solution in DMF) and TEA (75 mmol, 0.05 mL of 1.5 M solution in DMF) followed by the appropriate amine build blocks (55 mmol, 0.55 ml of 1 M solution in DMF). The reactions were stirred at rt 24 h and concentrated by GeneVac HT-4 to remove all reaction mixture including excess amine and DMF. The crude mixtures were dissolved in EtOAc (1 mL) and filtered through silica-packed short-column and washed with EtOAc (3 mL). The collected organic solution was concentrated in GeneVac HT-4 and dissolved in DMSO (1 mL). DMSO solution was subjected to HTAC for pre-purification analysis, purification, and final QC.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 1891 - 1895

30
[ 1426841-97-5 ]
[ 399-30-4 ]
[ 1426842-65-0 ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 24h;	General procedure: To a solution of carboxylic acid (50 mmol) in DMF (0.25 mL) in a 48 position Mettler Toledo XT reaction block was added PyBOP (50 mmol, 0.2 mL of 0.3 M solution in DMF) and TEA (75 mmol, 0.05 mL of 1.5 M solution in DMF) followed by the appropriate amine build blocks (55 mmol, 0.55 ml of 1 M solution in DMF). The reactions were stirred at rt 24 h and concentrated by GeneVac HT-4 to remove all reaction mixture including excess amine and DMF. The crude mixtures were dissolved in EtOAc (1 mL) and filtered through silica-packed short-column and washed with EtOAc (3 mL). The collected organic solution was concentrated in GeneVac HT-4 and dissolved in DMSO (1 mL). DMSO solution was subjected to HTAC for pre-purification analysis, purification, and final QC.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 1891 - 1895

31
[ 1426841-98-6 ]
[ 399-30-4 ]
[ 1426842-87-6 ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 24h;	General procedure: To a solution of carboxylic acid (50 mmol) in DMF (0.25 mL) in a 48 position Mettler Toledo XT reaction block was added PyBOP (50 mmol, 0.2 mL of 0.3 M solution in DMF) and TEA (75 mmol, 0.05 mL of 1.5 M solution in DMF) followed by the appropriate amine build blocks (55 mmol, 0.55 ml of 1 M solution in DMF). The reactions were stirred at rt 24 h and concentrated by GeneVac HT-4 to remove all reaction mixture including excess amine and DMF. The crude mixtures were dissolved in EtOAc (1 mL) and filtered through silica-packed short-column and washed with EtOAc (3 mL). The collected organic solution was concentrated in GeneVac HT-4 and dissolved in DMSO (1 mL). DMSO solution was subjected to HTAC for pre-purification analysis, purification, and final QC.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 1891 - 1895

32
[ 66176-39-4 ]
[ 399-30-4 ]
[ 1431950-18-3 ]

Reference： [1]ChemMedChem,2013,vol. 8,p. 622 - 632

33
[ 66176-39-4 ]
[ 399-30-4 ]
[ 1431950-45-6 ]

Reference： [1]ChemMedChem,2013,vol. 8,p. 622 - 632

34
[ 399-30-4 ]
[ 93-55-0 ]
(E)-3-(2-fluorophenyl)-2-methyl-1-phenylprop-2-en-1-one [ No CAS ]

Reference： [1]Green Chemistry,2013,vol. 15,p. 3165 - 3169

35
[ 17702-83-9 ]
[ 399-30-4 ]
2-(8-((2-fluorobenzyl)(methyl)amino)octyl)isoindoline-1,3-dione hydrochloride [ No CAS ]