3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine

Base Information

Chemical Name:3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine
CAS No.:28978-07-6
Molecular Formula:C₉H₁₃NO₄
Molecular Weight:199.207
Hs Code.:2932999099
UNII:75PQ0DZ8R2
DSSTox Substance ID:DTXSID801318391
Metabolomics Workbench ID:98065
Wikidata:Q27158272
Mol file:28978-07-6.mol

Synonyms:anticapsin

Suppliers and Price of 3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
ANTICAPSIN 95.00%
5MG
$ 504.08

Total 9 raw suppliers

Chemical Property of 3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine

Chemical Property:

Vapor Pressure:4.42E-08mmHg at 25°C
Boiling Point:415.9°C at 760 mmHg
Flash Point:205.3°C
PSA：92.92000
Density:1.368g/cm³
LogP:0.23520
XLogP3:-3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:199.08445790
Heavy Atom Count:14
Complexity:278

Purity/Quality:

99.5% ^*data from raw suppliers

ANTICAPSIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=O)C2C(C1CC(C(=O)O)N)O2
Isomeric SMILES:C1CC(=O)[C@H]2[C@@H]([C@@H]1C[C@@H](C(=O)O)N)O2

Technology Process of 3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine

There total 11 articles about 3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: (S)-2-Allyloxycarbonylamino-3-((S)-5-hydroxy-7-oxa-bicyclo[4.1.0]hept-2-yl)-propionic acid methyl ester

: 28978-07-6
anticapsin

Guidance literature:: Multi-step reaction with 2 steps

1: CrO₃*pyridine / CH₂Cl₂ / 0.25 h / 23 °C

2: 1.) N,N-dimethyl(trimethylsilyl)amine, 2.) 0.1 N aq. NaOH / 1.) Pd(Ph₃P)4 / 1.) CH₂Cl₂, 23 deg C, 15 min, 2.) THF, 0 deg C, 30 min

With sodium hydroxide; N,N-Dimethyltrimethylsilylamine; chromium trioxide-pyridine complex; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In dichloromethane;
DOI:10.1021/jo00089a019

Reference yield:

: 158109-60-5
(Allyloxycarbonyl)-(S)-3-<(1S,2R,3R)-2,3-epoxy-4-oxo-1-cyclohexyl>alanine methyl ester

: 28978-07-6
anticapsin

Guidance literature:: With sodium hydroxide; N,N-Dimethyltrimethylsilylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; Yield given. Multistep reaction; 1.) CH₂Cl₂, 23 deg C, 15 min, 2.) THF, 0 deg C, 30 min;
DOI:10.1021/jo00089a019

Reference yield:

: (S)-2-Acetylamino-3-((1R,2S,6R)-5-oxo-7-oxa-bicyclo[4.1.0]hept-2-yl)-propionic acid

: 28978-07-6
anticapsin

Guidance literature:: With acylase from sp. aspergillus; phosphate buffer pH 7.5; at 30 ℃; for 30h; Yield given;
DOI:10.1016/0040-4020(95)98714-S