Cyclohexa-2,5-diene-1-carboxylic acid

Base Information

Chemical Name:Cyclohexa-2,5-diene-1-carboxylic acid
CAS No.:4794-04-1
Molecular Formula:C7H8O2
Molecular Weight:124.139
Hs Code.:2916209090
European Community (EC) Number:225-349-8
DSSTox Substance ID:DTXSID20197360
Nikkaji Number:J80.904G
Mol file:4794-04-1.mol

Synonyms:2,5-cyclohexadiene-1-carboxylic acid

Suppliers and Price of Cyclohexa-2,5-diene-1-carboxylic 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

Crysdot
Cyclohexa-2,5-dienecarboxylicacid 95+%
1g
$ 377.00

Chemenu
cyclohexa-2,5-diene-1-carboxylicacid 95%
1g
$ 356.00

Biosynth Carbosynth
1,4-Dihydrobenzoicacid
250 mg
$ 210.00

Biosynth Carbosynth
1,4-Dihydrobenzoicacid
100 mg
$ 105.00

Biosynth Carbosynth
1,4-Dihydrobenzoicacid
50 mg
$ 60.00

Biosynth Carbosynth
1,4-Dihydrobenzoicacid
500 mg
$ 365.00

Biosynth Carbosynth
1,4-Dihydrobenzoicacid
1 g
$ 634.00

American Custom Chemicals Corporation
1,4-DIHYDROBENZOIC ACID 95.00%
5MG
$ 499.83

Alichem
Cyclohexa-2,5-dienecarboxylicacid
1g
$ 400.00

Total 11 raw suppliers

Chemical Property of Cyclohexa-2,5-diene-1-carboxylic acid

Chemical Property:

Vapor Pressure:0.00943mmHg at 25°C
Refractive Index:1.539
Boiling Point:245.3 °C at 760 mmHg
PKA:3.86±0.20(Predicted)
Flash Point:110.6 °C
PSA：37.30000
Density:1.179 g/cm³
LogP:1.20330
Storage Temp.:2-8°C
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:124.052429494
Heavy Atom Count:9
Complexity:156

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexa-2,5-dienecarboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C=CC(C=C1)C(=O)O

Technology Process of Cyclohexa-2,5-diene-1-carboxylic acid

There total 7 articles about Cyclohexa-2,5-diene-1-carboxylic 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: 98.0%

: 65-85-0,8013-63-6
benzoic acid

: 4794-04-1
1,4-dihydrobenzoic acid

Guidance literature:: With ammonia; lithium; at -78 ℃; for 1h; Inert atmosphere;
DOI:10.1021/jacs.6b02877

Reference yield: 93.0%

: 553-54-8
lithium benzoate

: 4794-04-1
1,4-dihydrobenzoic acid

Guidance literature:: With ammonia; lithium; tert-butyl alcohol; In tetrahydrofuran; for 0.166667h; Heating;

Reference yield: 85.0%

: 118-90-1
ortho-methylbenzoic acid

: 107-14-2
chloroacetonitrile

: 4794-04-1
1,4-dihydrobenzoic acid

: C₁₀H₁₁NO₂

Guidance literature:: ortho-methylbenzoic acid; With ammonia; lithium diisopropyl amide; at -78 ℃; for 1h;

chloroacetonitrile; at 20 ℃; stereoselective reaction;
DOI:10.1002/ejoc.201601650