N-Caffeoyl-4-aminobutyric acid

Base Information

Chemical Name:N-Caffeoyl-4-aminobutyric acid
CAS No.:110882-10-5
Molecular Formula:C₁₃H₁₅NO₅
Molecular Weight:265.266
Hs Code.:2924299090
Nikkaji Number:J1.685.671A,J1.955.616F
ChEMBL ID:CHEMBL2392130
Mol file:110882-10-5.mol

Synonyms:N-caffeoyl-4-aminobutyric acid;N-caffeoyl-GABA

Suppliers and Price of N-Caffeoyl-4-aminobutyric 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
4-(3-(3,4-Dihydroxyphenyl)acrylamido)butanoicacid 95+%
1g
$ 772.00

Chemenu
4-(3-(3,4-Dihydroxyphenyl)acrylamido)butanoicacid 95%
1g
$ 729.00

American Custom Chemicals Corporation
4-(3-(3,4-DIHYDROXYPHENYL)ACRYLAMIDO)BUTANOIC ACID 95.00%
5MG
$ 497.66

Alichem
4-(3-(3,4-Dihydroxyphenyl)acrylamido)butanoicacid
1g
$ 640.56

Total 5 raw suppliers

Chemical Property of N-Caffeoyl-4-aminobutyric acid

Chemical Property:

Vapor Pressure:7.91E-17mmHg at 25°C
Boiling Point:631.7°Cat760mmHg
Flash Point:335.9°C
PSA：106.86000
Density:1.368g/cm³
LogP:1.48290
XLogP3:0.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:265.09502258
Heavy Atom Count:19
Complexity:342

Purity/Quality:

99% ^*data from raw suppliers

4-(3-(3,4-Dihydroxyphenyl)acrylamido)butanoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C=CC(=O)NCCCC(=O)O)O)O
Isomeric SMILES:C1=CC(=C(C=C1/C=C/C(=O)NCCCC(=O)O)O)O

Technology Process of N-Caffeoyl-4-aminobutyric acid

There total 7 articles about N-Caffeoyl-4-aminobutyric 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:

: C₁₇H₁₉NO₇

: 110882-10-5
C₁₃H₁₅NO₅

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; at 20 ℃; for 24h;
DOI:10.3390/molecules22122047

Reference yield:

: C₁₈H₂₁NO₇

: 675833-42-8,110882-10-5
(E)-4-(3-(3,4-dihydroxyphenyl)acrylamido)butanoic acid

Guidance literature:: With methanol; sodium hydroxide; In water; at 20 ℃; for 0.25h;
DOI:10.1016/j.bmcl.2013.04.033

Reference yield:

: 13788-48-2,88623-81-8
di-O-acetylcaffeic acid

: 110882-10-5
C₁₃H₁₅NO₅

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride / 5 h / 60 °C

2: sodium hydroxide / tetrahydrofuran / 2.5 h / 10 - 15 °C

3: hydrogenchloride / tetrahydrofuran / 24 h / 20 °C

With hydrogenchloride; thionyl chloride; sodium hydroxide; In tetrahydrofuran;
DOI:10.3390/molecules22122047