4-(Allylamino)benzoic acid

Base Information

Chemical Name:4-(Allylamino)benzoic acid
CAS No.:53624-18-3
Molecular Formula:C10H11 N O2
Molecular Weight:177.203
Hs Code.:
NSC Number:138298
DSSTox Substance ID:DTXSID60300674
Wikidata:Q82043934
ChEMBL ID:CHEMBL1477346
Mol file:53624-18-3.mol

Synonyms:4-(allylamino)benzoic acid;53624-18-3;4-(prop-2-enylamino)benzoic acid;MFCD02252822;4-Allylamino-benzoic acid;NSC138298;4-allylaminobenzoic acid;4-(allylamino)benzoicacid;Oprea1_411324;Oprea1_736741;MLS000555109;SCHEMBL877744;F3095-3188;CHEMBL1477346;DTXSID60300674;KAAMYCLKDWDNNY-UHFFFAOYSA-N;HMS1679I08;HMS2532K13;AKOS000269152;NSC-138298;BS-50219;SMR000171754;CS-0322964;E73963

Suppliers and Price of 4-(Allylamino)benzoic 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

TRC
4-[(prop-2-en-1-yl)amino]benzoicacid
50mg
$ 45.00

ChemBridge Corporation
4-(allylamino)benzoicacid 95%
1 g
$ 70.00

American Custom Chemicals Corporation
4-(ALLYLAMINO)BENZOIC ACID 95.00%
10G
$ 1479.56

American Custom Chemicals Corporation
4-(ALLYLAMINO)BENZOIC ACID 95.00%
5G
$ 1018.71

American Custom Chemicals Corporation
4-(ALLYLAMINO)BENZOIC ACID 95.00%
1G
$ 685.21

Total 8 raw suppliers

Chemical Property of 4-(Allylamino)benzoic acid

Chemical Property:

Vapor Pressure:2.58E-05mmHg at 25°C
Boiling Point:344.1°Cat760mmHg
Flash Point:161.9°C
PSA：49.33000
Density:1.185g/cm³
LogP:2.05570
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:177.078978594
Heavy Atom Count:13
Complexity:183

Purity/Quality:

97% ^*data from raw suppliers

4-[(prop-2-en-1-yl)amino]benzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCNC1=CC=C(C=C1)C(=O)O

Technology Process of 4-(Allylamino)benzoic acid

There total 5 articles about 4-(Allylamino)benzoic 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: 73.0%

: 4-allylamino-benzoic acid allyl ester

: 53624-18-3
4-allylamino-benzoic acid

Guidance literature:: With iodine; In dimethyl sulfoxide; at 130 ℃; for 0.5h;
DOI:10.1002/jhet.1580

Reference yield: 46.1%

: 73784-02-8
methyl 4-(allylamino)benzoate

: 53624-18-3
4-allylamino-benzoic acid

Guidance literature:: With lithium hydroxide monohydrate; water; In methanol; at 55 ℃; for 24h;

Reference yield:

: 619-45-4
4-methoxycarbonyl aniline

: 53624-18-3
4-allylamino-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 0 - 60 °C

2: water; lithium hydroxide monohydrate / methanol / 24 h / 55 °C

With lithium hydroxide monohydrate; water; potassium carbonate; In methanol; N,N-dimethyl-formamide;