(2E)-hepta-2,6-dienoic acid

Base Information Edit

Chemical Name:(2E)-hepta-2,6-dienoic acid
CAS No.:38867-17-3
Molecular Formula:C7H10O2
Molecular Weight:126.155
Hs Code.:2916190090
European Community (EC) Number:630-991-0
DSSTox Substance ID:DTXSID60421035
Nikkaji Number:J959.861H
Wikidata:Q76311839
Mol file:38867-17-3.mol

Synonyms:(2E)-hepta-2,6-dienoic acid;38867-17-3;Hepta-2,6-dienoic Acid;(E)-Hepta-2,6-dienoic acid;68860-52-6;(e)-2,6-heptadienoic acid;SCHEMBL473758;SCHEMBL473760;(2E)-2,6-Heptadienoic acid;DTXSID60421035;QQVKNEQDEIZBLC-AATRIKPKSA-N;AKOS006223969;2,6-Heptadienoic acid,96%,predominantly trans

Suppliers and Price of (2E)-hepta-2,6-dienoic acid

Supply Marketing:Edit

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

American Custom Chemicals Corporation
2,6-HEPTADIENOIC ACID 95.00%
5MG
$ 504.78

Total 1 raw suppliers

Chemical Property of (2E)-hepta-2,6-dienoic acid Edit

Chemical Property:

Vapor Pressure:0.0367mmHg at 25°C
Refractive Index:n20/D 1.473(lit.)
Boiling Point:76-81oC2 mm Hg(lit.)
PKA:4.75±0.10(Predicted)
Flash Point:>230 °F
PSA：37.30000
Density:0.971 g/mL at 25oC(lit.)
LogP:1.59340
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:126.068079557
Heavy Atom Count:9
Complexity:125

Purity/Quality:

99% ^*data from raw suppliers

2,6-HEPTADIENOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:C
Statements: 34
Safety Statements: 26-27-28-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCCC=CC(=O)O
Isomeric SMILES:C=CCC/C=C/C(=O)O

Technology Process of (2E)-hepta-2,6-dienoic acid

There total 11 articles about (2E)-hepta-2,6-dienoic 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: 79.0%

: 2100-17-6
4-pentenal

: 141-82-2
malonic acid

: 38867-17-3
(2E)-hepta-2,6-dienoic acid

Guidance literature:: With pyrrolidine; pyridine; 20 deg C, overnight, 90 deg C, 2 h;

Reference yield:

: 270901-71-8
tert-butyl (E)-hepta-2,6-dienoate

: 38867-17-3
(2E)-hepta-2,6-dienoic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 22 ℃; for 12h;
DOI:10.1021/ja048779q

Reference yield:

: 821-09-0
n-Pent-4-enyl alcohol

: 38867-17-3
(2E)-hepta-2,6-dienoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: DMSO; (COCl)2; Et₃N / CH₂Cl₂ / -78 - 22 °C

2: CH₂Cl₂ / 5 h / 22 °C

3: 1.67 g / TFA / CH₂Cl₂ / 12 h / 22 °C

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; trifluoroacetic acid; In dichloromethane; 1: Swern oxidation / 2: Wittig reaction;
DOI:10.1021/ja048779q