trans-2-Chloro-3-hydroxy-4-methoxy-beta-nitrostyrene

Base Information

Chemical Name:trans-2-Chloro-3-hydroxy-4-methoxy-beta-nitrostyrene
CAS No.:871126-36-2
Molecular Formula:C₉H₈ClNO₄
Molecular Weight:229.62
Hs Code.:2909500000
European Community (EC) Number:635-933-8
Wikidata:Q76511209
Mol file:871126-36-2.mol

Synonyms:trans-2-Chloro-3-hydroxy-4-methoxy-beta-nitrostyrene;871126-36-2;2-CHLORO-6-METHOXY-3-[(E)-2-NITROETHENYL]PHENOL;(E)-2-Chloro-6-methoxy-3-(2-nitrovinyl)phenol;trans-2-Chloro-3-hydroxy-4-methoxy-beta-nitrostyrene, 97%

Suppliers and Price of trans-2-Chloro-3-hydroxy-4-methoxy-beta-nitrostyrene

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

Sigma-Aldrich
trans-2-Chloro-3-hydroxy-4-methoxy-β-nitrostyrene 97%
5g
$ 133.00

American Custom Chemicals Corporation
TRANS-2-CHLORO-3-HYDROXY-4-METHOXY-BETA-NITROSTYRENE 97.00%
5MG
$ 502.22

AK Scientific
trans-2-Chloro-3-hydroxy-4-methoxy-β-nitrostyrene
5g
$ 255.00

Total 3 raw suppliers

Chemical Property of trans-2-Chloro-3-hydroxy-4-methoxy-beta-nitrostyrene

Chemical Property:

Melting Point:171-175 °C(lit.)
PSA：75.28000
LogP:2.82480
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:229.0141854
Heavy Atom Count:15
Complexity:253

Purity/Quality:

99% ^*data from raw suppliers

trans-2-Chloro-3-hydroxy-4-methoxy-β-nitrostyrene 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36-43
Safety Statements: 26-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C(=C(C=C1)C=C[N+](=O)[O-])Cl)O
Isomeric SMILES:COC1=C(C(=C(C=C1)/C=C/[N+](=O)[O-])Cl)O

Technology Process of trans-2-Chloro-3-hydroxy-4-methoxy-beta-nitrostyrene

There total 2 articles about trans-2-Chloro-3-hydroxy-4-methoxy-beta-nitrostyrene 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: 97.0%

: 75-52-5
nitromethane

: 37687-57-3
2-chloro-3-hydroxy-4-methoxybenzaldehyde

: 871126-36-2
2-chloro-6-methoxy-3-(2-nitrovinyl)phenol

Guidance literature:: With ammonium acetate; In acetic acid; at 150 - 160 ℃; for 0.75h; Sealed tube; High pressure;
DOI:10.1055/s-0034-1379481

Reference yield:

: 621-59-0
isovanillin

: 871126-36-2
2-chloro-6-methoxy-3-(2-nitrovinyl)phenol

Guidance literature:: Multi-step reaction with 2 steps

1: sulfuryl dichloride / acetic acid / 2 h / 0 - 2 °C

2: ammonium acetate / acetic acid / 0.75 h / 150 - 160 °C / Sealed tube; High pressure

With sulfuryl dichloride; ammonium acetate; In acetic acid; 2: |Henry Nitro Aldol Condensation;
DOI:10.1055/s-0034-1379481