CAS No.183905-31-9,Acetamide, N-[(2S)-2-(acetyloxy)-3-chloropropyl]- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	183905-31-9
Name:	Acetamide, N-[(2S)-2-(acetyloxy)-3-chloropropyl]-
Article Data:	13

Formula:	C₇H₁₂ClNO₃
Molecular Weight:	193.63
Synonyms:	(S)-Acetic acid 2-acetylamino-1-chloromethylethyl ester;(S)-N-[2-(Acetyloxy)-3-chloropropyl]acetamide;N-[(2S)-2-Acetoxy-3-chloropropyl]acetamide;N-[(2S)-2-(Acetyloxy)-3-chloropropyl]acetamide;
EINECS:	1806241-263-5
Density:	1.172 g/cm³
Boiling Point:	370.249 °C at 760 mmHg
Flash Point:	177.721 °C
PSA:	58.89000
LogP:	1.13330

Synthetic route

: 108-24-7
acetic anhydride

: 53494-57-8
(S)-1-amino-3-chloropropan-2-ol

: 183905-31-9
N-[(2S)-2-acetoxy-3-chloropropyl]acetamide

Conditions

Conditions	Yield
With triethylamine at 0 - 20℃; for 4h;	98%
With pyridine In tetrahydrofuran at 35 - 45℃; for 12h;

: (S)-1-amino-3-chloro-2-propanol hydrochloride

: 108-24-7
acetic anhydride

: 183905-31-9
N-[(2S)-2-acetoxy-3-chloropropyl]acetamide

Conditions

Conditions	Yield
With pyridine In dichloromethane at 30℃; for 20h;	90.6%

: 108-24-7
acetic anhydride

: (2S)-1-amino-3-chloropropan-2-ol hydrogen chloride

: 183905-31-9
N-[(2S)-2-acetoxy-3-chloropropyl]acetamide

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20 - 40℃; for 22h;	89%
With pyridine In dichloromethane at 18 - 40℃; for 5h;	75%
With pyridine at 20℃;	47.98%

: (S)-1-amino-3-chloro-2-propanol hydrochloride

: 75-36-5
acetyl chloride

: 183905-31-9
N-[(2S)-2-acetoxy-3-chloropropyl]acetamide

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0 - 20℃; for 10h;	86.1%

: 108-24-7
acetic anhydride

: (2S)-1-amino-3-chloropropan-2-ol hydrogen chloride

A: (1S)-2-{acetyl[(2S)-2-(acetyloxy)-3-chloropropyl]amino}-1-(chloromethyl)ethyl acetate

B: (1S)-2-{bis[(2S)-2-(acetyloxy)-3-chloropropyl]amino}-1-(chloromethyl)ethyl acetate

C: 183905-31-9
N-[(2S)-2-acetoxy-3-chloropropyl]acetamide

Conditions

Conditions	Yield
With pyridine In dichloromethane for 19h; Time; Temperature;	A n/a B 0.27% C 82.9%

...Expand

: 168828-90-8
(S)-N-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

: 183905-31-9
N-[(2S)-2-acetoxy-3-chloropropyl]acetamide

: (R)-1-acetamido-3-((((S)-3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl)amino)propan-2-yl acetate

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 2h;	97.9%

: 1313613-18-1
[4-(3-oxo-morpholin-4-yl)phenyl]carbamic acid benzyl ester

: 183905-31-9
N-[(2S)-2-acetoxy-3-chloropropyl]acetamide

: 1429334-00-8
(S)-N-[{3-(4-(3-oxomorpholin-4-yl)phenyl)-2-oxo-1,3-oxazolidin-5-yl}methyl]acetamide

Conditions

Conditions	Yield
With lithium tert-butoxide In dichloromethane; N,N-dimethyl-formamide for 10h; Reagent/catalyst; Reflux;	93%

: 565176-83-2
N-ethoxycarbonyl-3-fluoro-4-morpholinyl aniline

: 183905-31-9
N-[(2S)-2-acetoxy-3-chloropropyl]acetamide

: 165800-03-3
linezolid

Conditions

Conditions	Yield
With lithium; tert-butyl alcohol In tetrahydrofuran; N,N-dimethyl acetamide; isopropyl alcohol at 0 - 20℃; Reagent/catalyst; Solvent; Concentration;	90.3%

: 183905-31-9
N-[(2S)-2-acetoxy-3-chloropropyl]acetamide

: 183805-10-9
N-[(2S)oxiranylmethyl]acetamide

Conditions

Conditions	Yield
With potassium carbonate In methanol for 2h; Ambient temperature;	89%

: 741721-41-5
(1-fluoro-5-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-carbamic acid ethyl ester

: 183905-31-9
N-[(2S)-2-acetoxy-3-chloropropyl]acetamide

: 741721-36-8
(S)-N-[3-(1-fluoro-5-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide

Conditions

Conditions	Yield
Stage #1: (1-fluoro-5-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-carbamic acid ethyl ester With methanol; lithium tert-butoxide In DMF (N,N-dimethyl-formamide); hexane at 20℃; for 3.5h; Stage #2: N-[(2S)-2-acetoxy-3-chloropropyl]acetamide In DMF (N,N-dimethyl-formamide); hexane at 20℃; for 18.5h;	88%
With lithium tert-butoxide In hexane; N,N-dimethyl-formamide

Raw Materials

53494-57-8

108-24-7

Downstream Products

183805-10-9

139071-79-7

165800-03-3

Total:120 Page 1 of 4 1 2 3 4 Next>>

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Specification

The (S)-1-[(Acetylamino)methyl]-2-chloroethyl acetate, with the CAS registry number 183905-31-9, is also known as N-[(2S)-2-Acetoxy-3-chloropropyl]acetamide. This chemical's molecular formula is C₇H₁₂ClNO₃ and molecular weight is 193.63. What's more, its systematic name is (2S)-1-Acetamido-3-chloro-2-propanyl acetate.

Physical properties of (S)-1-[(Acetylamino)methyl]-2-chloroethyl acetate are: (1)ACD/LogP: 0.024; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 24.55; (8)ACD/KOC (pH 7.4): 24.55; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 44.686 cm³; (15)Molar Volume: 165.262 cm³; (16)Polarizability: 17.715×10^-24cm³; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 1.172 g/cm³; (19)Flash Point: 177.721 °C; (20)Enthalpy of Vaporization: 61.712 kJ/mol; (21)Boiling Point: 370.249 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC[C@@H](OC(=O)C)CNC(=O)C
(2)Std. InChI: InChI=1S/C7H12ClNO3/c1-5(10)9-4-7(3-8)12-6(2)11/h7H,3-4H2,1-2H3,(H,9,10)/t7-/m1/s1
(3)Std. InChIKey: GOJJPJCUSDMTAT-SSDOTTSWSA-N