2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid

Base Information

Chemical Name:2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid
CAS No.:123000-45-3
Molecular Formula:C₉H₁₃NO₅
Molecular Weight:215.206
Hs Code.:
European Community (EC) Number:628-421-0
DSSTox Substance ID:DTXSID20352119
Nikkaji Number:J2.058.432G
Wikidata:Q82129107
Mol file:123000-45-3.mol

Synonyms:123000-45-3;2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid;2-((1S,2R,3S)-3-Methyl-2-(nitromethyl)-5-oxocyclopentyl)acetic acid;AC1LEXQW;starbld0005264;SCHEMBL15239223;DTXSID20352119;AT34033;[1S-(1,2,3)]-(+)-3-Methyl-2-(nitromethyl)-5-oxocyclopentaneacetic acid;[1S-(1beta,2alpha,3beta)]-(+)-3-Methyl-2-(nitromethyl)-5-oxocyclopentaneacetic acid, 98%

Suppliers and Price of 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid

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
[1S-(1BETA,2ALPHA,3BETA)]-(+)-3-METHYL-2-(NITROMETHYL)-5-OXOCYCLOPENTANEACETIC ACID 98.00%
100G
$ 2499.23

Total 5 raw suppliers

Chemical Property of 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid

Chemical Property:

Vapor Pressure:1.03E-08mmHg at 25°C
Melting Point:58-62 °C(lit.)
Boiling Point:433.1°C at 760 mmHg
Flash Point:190.6°C
PSA：100.19000
Density:1.256g/cm³
LogP:1.10230
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:215.07937252
Heavy Atom Count:15
Complexity:295

Purity/Quality:

99.3% ^*data from raw suppliers

[1S-(1BETA,2ALPHA,3BETA)]-(+)-3-METHYL-2-(NITROMETHYL)-5-OXOCYCLOPENTANEACETIC ACID 98.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC(=O)C(C1C[N+](=O)[O-])CC(=O)O
Isomeric SMILES:C[C@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)O

Technology Process of 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid

There total 1 articles about 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid 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:

: 86023-17-8,123000-45-3
[1R-(1α,2β,3α)]-3-methyl-2-nitromethyl-5-oxocyclopentaneacetic acid

Guidance literature:

Reference yield: 51.0%

: 51179-05-6
2-(4-(benzyloxy)phenyl)ethanamine

: 123000-45-3
[1S-(1β,2α,3β)]-(+)-3-methyl-2-(nitromethyl)-5-oxocyclopentan-1-ylacetic acid

: C₂₄H₂₈N₂O₅

Guidance literature:: With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20 ℃;

Reference yield:

: 86658-78-8
N-tosyl tryptamine

: 123000-45-3
[1S-(1β,2α,3β)]-(+)-3-methyl-2-(nitromethyl)-5-oxocyclopentan-1-ylacetic acid

: C₂₆H₂₉N₃O₆S

Guidance literature:: With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20 ℃;