alpha-[2-Nitro-4-trifluoromethylphenyl]-2,4-dichlorocinnamic acid

Base Information

Chemical Name:alpha-[2-Nitro-4-trifluoromethylphenyl]-2,4-dichlorocinnamic acid
CAS No.:38635-54-0
Molecular Formula:C16H8 Cl2 F3 N O4
Molecular Weight:406.145
Hs Code.:2916399090
European Community (EC) Number:254-047-9
Mol file:38635-54-0.mol

Synonyms:3-(2,4-Dichlorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]acrylic acid;SBYBKHAGFBTYMA-XGICHPGQSA-N;38635-54-0;.alpha.-[2-Nitro-4-trifluoromethylphenyl]-2,4-dichlorocinnamic acid;(2Z)-3-(2,4-Dichlorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]-2-propenoic acid #;Benzeneacetic acid, .alpha.-[(2,4-dichlorophenyl)methylene]-2-nitro-4-(trifluoromethyl)-

Suppliers and Price of alpha-[2-Nitro-4-trifluoromethylphenyl]-2,4-dichlorocinnamic 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 8 raw suppliers

Chemical Property of alpha-[2-Nitro-4-trifluoromethylphenyl]-2,4-dichlorocinnamic acid

Chemical Property:

Vapor Pressure:3.58E-09mmHg at 25°C
Boiling Point:457.8°Cat760mmHg
Flash Point:230.6°C
PSA：83.12000
Density:1.584g/cm³
LogP:5.62400
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:404.9782476
Heavy Atom Count:26
Complexity:579

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)O
Isomeric SMILES:C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])/C(=C/C2=C(C=C(C=C2)Cl)Cl)/C(=O)O

Technology Process of alpha-[2-Nitro-4-trifluoromethylphenyl]-2,4-dichlorocinnamic acid

There total 1 articles about alpha-[2-Nitro-4-trifluoromethylphenyl]-2,4-dichlorocinnamic 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:

: 1735-91-7
2-(2-nitro-4-(trifluoromethyl)phenyl)acetic acid

: 874-42-0
2,4-dichlorobenzaldeyhde

: 38635-54-0
(E)-3-(2,4-Dichloro-phenyl)-2-(2-nitro-4-trifluoromethyl-phenyl)-acrylic acid

Guidance literature:: With potassium carbonate; In acetic anhydride;
DOI:10.1021/jm00277a019

Reference yield:

: 38635-54-0
(E)-3-(2,4-Dichloro-phenyl)-2-(2-nitro-4-trifluoromethyl-phenyl)-acrylic acid

: 38492-81-8
1,3-dichloro-6-(trifluoromethyl)phenanthren-9-methanol

Guidance literature:: Multi-step reaction with 3 steps

1.1: iron(II) sulfate; sodium hydroxide / water / 2 h / 100 °C

2.1: isopentyl nitrite; hydrogenchloride / ethanol / 1 h / -5 °C

2.2: 2 h / 40 °C

3.1: diborane; tetrahydrofuran / 12 h / 0 - 20 °C / Inert atmosphere

With tetrahydrofuran; hydrogenchloride; iron(II) sulfate; sodium hydroxide; diborane; isopentyl nitrite; In ethanol; water; 2.1: |Pschor Arylation / 2.2: |Pschor Arylation;
DOI:10.1021/acs.jmedchem.7b00140

Reference yield:

: 38635-54-0
(E)-3-(2,4-Dichloro-phenyl)-2-(2-nitro-4-trifluoromethyl-phenyl)-acrylic acid

: 38492-84-1
1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde

Guidance literature:: Multi-step reaction with 4 steps

1.1: iron(II) sulfate; sodium hydroxide / water / 2 h / 100 °C

2.1: isopentyl nitrite; hydrogenchloride / ethanol / 1 h / -5 °C

2.2: 2 h / 40 °C

3.1: diborane; tetrahydrofuran / 12 h / 0 - 20 °C / Inert atmosphere

4.1: manganese(IV) oxide / chloroform / 2 h / 20 - 45 °C

With tetrahydrofuran; hydrogenchloride; manganese(IV) oxide; iron(II) sulfate; sodium hydroxide; diborane; isopentyl nitrite; In ethanol; chloroform; water; 2.1: |Pschor Arylation / 2.2: |Pschor Arylation;
DOI:10.1021/acs.jmedchem.7b00140