Tert-butyl 3-(aminomethyl)benzoate

Base Information

Chemical Name:Tert-butyl 3-(aminomethyl)benzoate
CAS No.:102638-45-9
Molecular Formula:C12H17NO2
Molecular Weight:207.272
Hs Code.:2922499990
European Community (EC) Number:692-279-6
ChEMBL ID:CHEMBL4960724
DSSTox Substance ID:DTXSID10600616
Wikidata:Q82496784
Mol file:102638-45-9.mol

Synonyms:tert-butyl 3-(aminomethyl)benzoate;102638-45-9;3-(Aminomethyl)benzoic acid tert-butyl ester;Benzoic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester;tert-Butyl 3-aminomethylbenzoate;MFCD08275208;tert-butyl3-(aminomethyl)benzoate;SCHEMBL4928282;CHEMBL4960724;DTXSID10600616;AMY36715;CEA63845;AB6519;AKOS010134685;AS-5103;SY143830;DB-015024;CS-0207523;EN300-120029

Suppliers and Price of Tert-butyl 3-(aminomethyl)benzoate

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

SynQuest Laboratories
tert-Butyl 3-aminomethylbenzoate
250 mg
$ 76.00

SynQuest Laboratories
tert-Butyl 3-aminomethylbenzoate
1 g
$ 186.00

Matrix Scientific
tert-Butyl 3-(aminomethyl)benzoate 95%
1g
$ 309.00

Matrix Scientific
tert-Butyl 3-(aminomethyl)benzoate 95%
5g
$ 706.00

Crysdot
tert-Butyl3-(aminomethyl)benzoate 95+%
5g
$ 700.00

Crysdot
tert-Butyl3-(aminomethyl)benzoate 95+%
10g
$ 937.00

Crysdot
tert-Butyl3-(aminomethyl)benzoate 95+%
25g
$ 1692.00

Apolloscientific
tert-Butyl3-aminomethylbenzoate
1g
$ 169.00

Apolloscientific
tert-Butyl3-aminomethylbenzoate
250mg
$ 69.00

American Custom Chemicals Corporation
TERT-BUTYL 3-(AMINOMETHYL)BENZOATE 95.00%
1G
$ 941.33

Total 18 raw suppliers

Chemical Property of Tert-butyl 3-(aminomethyl)benzoate

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Boiling Point:312.689oC at 760 mmHg
Flash Point:165.77oC
PSA：52.32000
LogP:2.80090
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:207.125928785
Heavy Atom Count:15
Complexity:220

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl 3-aminomethylbenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C1=CC=CC(=C1)CN

Technology Process of Tert-butyl 3-(aminomethyl)benzoate

There total 3 articles about Tert-butyl 3-(aminomethyl)benzoate 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:

: 383185-76-0
tert-butyl 3-cyanobenzoic acid

: 102638-45-9
tert-butyl 3-(aminomethyl)benzoate

Guidance literature:: With formic acid; palladium on activated charcoal; triethylamine; In tetrahydrofuran; at 40 ℃; for 4h; Inert atmosphere;
DOI:10.3390/molecules24152780

Reference yield:

: 1877-72-1
3-Cyanobenzoic acid

: 102638-45-9
tert-butyl 3-(aminomethyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: sulfuric acid; magnesium sulfate / dichloromethane / 24 h / 20 °C

2: formic acid; palladium on activated charcoal; triethylamine / tetrahydrofuran / 4 h / 40 °C / Inert atmosphere

With formic acid; sulfuric acid; palladium on activated charcoal; magnesium sulfate; triethylamine; In tetrahydrofuran; dichloromethane;
DOI:10.3390/molecules24152780