Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester

Base Information

Chemical Name:Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester
CAS No.:91134-32-6
Molecular Formula:C₁₁H₁₃NO₄S
Molecular Weight:255.295
Hs Code.:
DSSTox Substance ID:DTXSID40431874
Nikkaji Number:J3.200.647G

Synonyms:91134-32-6;Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester;DTXSID40431874;[(1-Phenyl-2-nitroethyl)thio]acetic acid methyl ester

Suppliers and Price of Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester

Chemical Property:

Boiling Point:372.9±42.0 °C(Predicted)
PSA：97.42000
Density:1.259±0.06 g/cm3(Predicted)
LogP:2.43380
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:255.05652907
Heavy Atom Count:17
Complexity:261

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CSC(C[N+](=O)[O-])C1=CC=CC=C1

Technology Process of Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester

There total 3 articles about Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester 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: 99.0%

: 102-96-5
(2-nitroethenyl)benzene

: 2365-48-2
Methyl thioglycolate

: 76665-83-3,91134-32-6
methyl {[alpha-(nitromethyl)benzyl]thio}acetate

Guidance literature:: With C₃₇H₅₆N₄O₄; lanthanum(lll) triflate; In 1,2-dichloro-ethane; at 0 ℃; for 1h;
DOI:10.1002/anie.201000105

Reference yield:

: C₁₁H₁₂NO₄S^(1-)

: 102-96-5
(2-nitroethenyl)benzene

: 76665-83-3,91134-32-6
methyl {[alpha-(nitromethyl)benzyl]thio}acetate

: 64743-45-9
carbomethoxymethanethiolate

Guidance literature:: With acetic acid; In water; acetonitrile; Rate constant; Equilibrium constant; acetate buffer; pH-jump experiments;
DOI:10.1021/jo00034a032