2-Butanol, 3-methyl-1-nitro-, (2S)-

Base Information

Chemical Name:2-Butanol, 3-methyl-1-nitro-, (2S)-
CAS No.:197857-06-0
Molecular Formula:C5H11NO3
Molecular Weight:133.14600
Hs Code.:
DSSTox Substance ID:DTXSID90476210
Nikkaji Number:J1.197.280B
Wikidata:Q82307234

Synonyms:197857-06-0;(S)-3-Methyl-1-nitrobutan-2-ol;2-Butanol, 3-methyl-1-nitro-, (2S)-;DTXSID90476210

Suppliers and Price of 2-Butanol, 3-methyl-1-nitro-, (2S)-

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
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price

Total 0 raw suppliers

Chemical Property of 2-Butanol, 3-methyl-1-nitro-, (2S)-

Chemical Property:

Boiling Point:215.8±23.0 °C(Predicted)
PSA：66.05000
Density:1.090±0.06 g/cm3(Predicted)
LogP:0.80320
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:133.07389321
Heavy Atom Count:9
Complexity:96.9

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Butanol, 3-methyl-1-nitro-, (2S)-

There total 3 articles about 2-Butanol, 3-methyl-1-nitro-, (2S)- 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:

: 75-52-5
nitromethane

: 78-84-2
isobutyraldehyde

: 197857-06-0
(S)-3-methyl-1-nitrobutan-2-ol

: 2224-38-6,141377-55-1,141434-98-2
(R)-3-methyl-1-nitro-2-butanol

Guidance literature:: With water; (S)-[1,1']-binaphthalenyl-2,2'-diol; 2-methyl-propan-2-ol; lanthanum tri-tert-butylate; lithium chloride; In tetrahydrofuran; at -42 ℃; for 18h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1021/ja00037a068

Reference yield:

: 62087-36-9
3-methyl-1-nitro-butan-2-one

: 197857-06-0
(S)-3-methyl-1-nitrobutan-2-ol

: 2224-38-6,141377-55-1,141434-98-2
(R)-3-methyl-1-nitro-2-butanol

Guidance literature:: With D-glucose; In ethanol; water; at 25 ℃; for 4h; Overall yield = 74 %; enantioselective reaction; Microbiological reaction;
DOI:10.1039/c5ra13593a

Reference yield:

: 141377-55-1,141434-98-2,2224-38-6
3-methyl-1-nitrobutan-2-ol

: 197857-06-0
(S)-3-methyl-1-nitrobutan-2-ol

: 2224-38-6,141377-55-1,141434-98-2
(R)-3-methyl-1-nitro-2-butanol

Guidance literature:: Multi-step reaction with 2 steps

1: chromium(VI) oxide; sulfuric acid / water; acetone / 3 h / Inert atmosphere; Cooling with ice

2: D-glucose / water; ethanol / 4 h / 25 °C / Microbiological reaction

With chromium(VI) oxide; D-glucose; sulfuric acid; In ethanol; water; acetone;
DOI:10.1039/c5ra13593a