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CAS Number: 87219-29-2
(S)-benzyl 5-oxo-tetrahydrofuran-3-ylcarbamate

Structure

(S)-benzyl 5-oxo-tetrahydrofuran-3-ylcarbamate
Name: (S)-benzyl 5-oxo-tetrahydrofuran-3-ylcarbamate
Synonyms:
General Information
Product Number: 87219292
CAS Number:
87219-29-2
Name:
Carbamic acid,N-[(3S)-tetrahydro-5-oxo-3-furanyl]-, phenylmethyl ester
Formula:
C12H13NO4
Molecular Weight:
235.24
Synonyms:
Carbamicacid, (tetrahydro-5-oxo-3-furanyl)-, phenylmethyl ester, (S)-;Carbamic acid, [(3S)-tetrahydro-5-oxo-3-furanyl]-,phenylmethyl ester (9CI);(S)-3-[(Benzyloxycarbonyl)amino]-g-butryolactone;Benzyl(S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate;
InChI: InChI=1S/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,
10H,6-8H2,(H,13,15)/t10-/m0/s1
InChIKey: BNIBNUOPVTZWRT-JTQLQIEISA-N
Canonical SMILES : C1C(COC1=O)NC(=O)OCC2=CC=CC=C2
 
 
Optical and Scattering Properties Value Condition Note
Optical Rotatory Power +20.9 ° Conc: 0.1 g/100mL; Solv: dichloromethane (75-09-2); Wavlen: 589.3 nm (2)CAS
Optical Rotatory Power -18.6 ° Conc: 1 g/100mL; Solv: dichloromethane (75-09-2); Wavlen: 589.3 nm

(3)CAS

 

Thermal Properties Value Condition Note
Melting Point 100-104 °C Solv: chloroform (67-66-3); hexane (110-54-3); ethyl acetate (141-78-6) (1)CAS
Melting Point 74 °C   (3)CAS

Specification

98%

References

PCT Int. Appl. (2013), WO2013018675 A1 20130207.

U.S. (2012), US8129538 B1 20120306

PCT Int. Appl. (2010), WO2010083442 A1 20100722.

  1. (1) Elliott, Mark C.; Organic & Biomolecular Chemistry 2004, V2(14), P2003-2011 CAPLUS
  2. (2) Luppi, Gianluigi; Synlett 2003, (6), P797-800 CAPLUS
  3. (3) Luppi, Gianluigi; Organic & Biomolecular Chemistry 2004, V2(15), P2181-2187 CAPLUS
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