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CAS Number: 79069-50-4
(S)-tert-butyl 1-oxopropan-2-ylcarbamate

Structure

(S)-tert-butyl 1-oxopropan-2-ylcarbamate
Name: (S)-tert-butyl 1-oxopropan-2-ylcarbamate
Synonyms:
General Information
Product Number: 79069504
CAS Number:
79069-50-4
Name:
Carbamic acid,N-[(1S)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester
Formula:
C8H15NO3
Molecular Weight:
173.21
Synonyms:
Carbamicacid, (1-methyl-2-oxoethyl)-, 1,1-dimethylethyl ester, (S)-;Carbamic acid,[(1S)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI);((S)-1-Methyl-2-oxo-ethyl)carbamic acid tert-butyl ester;((S)-1-Methyl-2-oxoethyl)carbamic acid tert-butyl ester;(S)-2-(((tert-Butoxy)carbonyl)amino)propanal;(S)-2-(tert-Butoxycarbonylamino)propionaldehyde;BOC-alaninal;N-(tert-Butoxycarbonyl)-L-alaninal;N-(tert-Butoxycarbonyl)alaninal;tert-Butyl((S)-1-methyl-2-oxoethyl)carbamate;tert-Butyl(1S)-1-methyl-2-oxoethylcarbamate;tert-ButylN-[(S)-1-methyl-2-oxoethyl]carbamate;
InChI: InChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,
11)/t6-/m0/s1
InChIKey: OEQRZPWMXXJEKU-LURJTMIESA-N
Canonical SMILES : CC(C=O)NC(=O)OC(C)(C)C
 
Optical and Scattering Properties Value Condition Note
Optical Rotatory Power +37.6 ° Wavlen: 589.3 nm; Temp: 20 °C (4)CAS
Optical Rotatory Power +23.4 ° Conc: 2.3 g/100mL; Solv: chloroform (67-66-3); Wavlen: 589.3 nm; Temp: 28 °C (2)CAS
Optical Rotatory Power -34.3 ° Conc: 1.00 g/100mL; Solv: methanol (67-56-1); Temp: 16 °C (1)IC
Optical Rotatory Power See full text   (3)CAS
Optical Rotatory Power See full text   (5)CAS
Thermal Properties Value Condition Note
Melting Point 90-92 °C   (1)IC
Melting Point 82-84 °C   (2)CAS
Melting Point 76-77 °C   (3)CAS

Specification

98%

References

PCT Int. Appl. (2013), WO2013066736 A1 20130510.

PCT Int. Appl. (2012), WO2012166665 A2 20121206.

PCT Int. Appl. (2011), WO2011090965 A1 20110728

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