4,6-Dichloro-3-hydroxy-2-nitrobenzoic acid

Base Information

Chemical Name:4,6-Dichloro-3-hydroxy-2-nitrobenzoic acid
CAS No.:253268-25-6
Molecular Formula:C7H3Cl2NO5
Molecular Weight:252.011
Hs Code.:
DSSTox Substance ID:DTXSID10443166
Wikidata:Q82260875
Mol file:253268-25-6.mol

Synonyms:4,6-dichloro-3-hydroxy-2-nitrobenzoic acid;253268-25-6;SCHEMBL610592;DTXSID10443166;WKTGFYBNDVOWML-UHFFFAOYSA-N;AS-65581;2,4-dichloro-5-hydroxy-6-nitrobenzoic acid;CS-0100057;FT-0739469;D76055

Suppliers and Price of 4,6-Dichloro-3-hydroxy-2-nitrobenzoic 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

Total 2 raw suppliers

Chemical Property of 4,6-Dichloro-3-hydroxy-2-nitrobenzoic acid

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:250.9388276
Heavy Atom Count:15
Complexity:281

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C(=C(C(=C1Cl)O)[N+](=O)[O-])C(=O)O)Cl

Technology Process of 4,6-Dichloro-3-hydroxy-2-nitrobenzoic acid

There total 5 articles about 4,6-Dichloro-3-hydroxy-2-nitrobenzoic 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: 95.0%

: 91659-09-5
2,4-dichloro-5-hydroxybenzoic acid

: 253268-25-6
4,6-dichloro-3-hydroxy-2-nitrobenzoic acid

Guidance literature:: With nitric acid; In nitromethane; at 45 ℃; for 4h;
DOI:10.1016/S0223-5234(99)00220-2

Reference yield:

: EtOAc-HOAc

: 91659-09-5
2,4-dichloro-5-hydroxybenzoic acid

: 253268-25-6
4,6-dichloro-3-hydroxy-2-nitrobenzoic acid

Guidance literature:: With nitric acid; In nitromethane;

Reference yield:

: 18113-13-8
2,4-dichloro-5-methoxyphenol

: 253268-25-6
4,6-dichloro-3-hydroxy-2-nitrobenzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 86 percent / NEt₃; DMAP / CH₂Cl₂ / 0.33 h / -70 - 20 °C

2: 36 percent / 1,3-bis(diphenylphosphino)propane; NEt₃ / Pd(OAc)2 / dimethylformamide / 5 h / 70 °C / 760 Torr

3: 66 percent / BBr₃ / CH₂Cl₂ / 4 h / -70 - 20 °C

4: 95 percent / 90 percent HNO₃ / nitromethane / 4 h / 45 °C

With dmap; 1,3-bis-(diphenylphosphino)propane; nitric acid; boron tribromide; triethylamine; palladium diacetate; In nitromethane; dichloromethane; N,N-dimethyl-formamide; 1: Esterification / 2: Carboxylation / 3: demethylation / 4: Nitration;
DOI:10.1016/S0223-5234(99)00220-2