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CAS Number: 77119-85-8
(R)-tert-butyl (1-oxo-3-phenylpropan-2-yl)carbamate

Structure

(R)-tert-butyl (1-oxo-3-phenylpropan-2-yl)carbamate
Name: (R)-tert-butyl (1-oxo-3-phenylpropan-2-yl)carbamate
Synonyms:
General Information
Product Number: 77119858

CAS Registry Number: 77119-85-8

Name:

Carbamic acid, N-​[(1R)​-​1-​formyl-​2-​phenylethyl]​-​, 1,​1-​dimethylethyl ester
Carbamic acid, (1-​formyl-​2-​phenylethyl)​-​, 1,​1-​dimethylethyl ester, (R)​-; Carbamic acid, [(1R)​-​1-​formyl-​2-​phenylethyl]​-​, 1,​1-​dimethylethyl ester (9CI); (R)​-​(+)​-​2-​[(tert-​Butoxycarbonyl)​amino]​-​3-​phenylpropanal; N-​Boc-​D-​phenylalaninal; N-​tert-​Butoxycarbonyl-​D-​phenylalaninal; tert-​Butoxycarbonyl-​D-​phenylalaninal; tert-​Butyl ((R)​-​1-​oxo-​3-​phenylpropan-​2-​yl)​carbamate 

 

Chemical Formula: C14H19NO3
Exact Mass: 249.14
Molecular Weight: 249.31
m/z: 249.14 (100.0%), 250.14 (15.5%), 251.14 (1.8%)
Elemental Analysis: C, 67.45; H, 7.68; N, 5.62; O, 19.25

 

InChI: InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKey: ZJTYRNPLVNMVPQ-GFCCVEGCSA-N
Canonical SMILES : CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C=O
Isomeric SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C=O

 

Thermal Properties Value Condition Note
Melting Point 71-75 °C   (3)IC

 

Specification

98%

References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) Li, Gui-long; Journal of Organic Chemistry 2005, V70(11), P4272-4278 CAPLUS
  3. (3) Sasaki, Yusuke; Journal of Medicinal Chemistry 1987, V30(7), P1162-6 CAPLUS
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