4-(Aminomethyl)benzamide hydrochloride

Base Information

• Chemical Name: 4-(Aminomethyl)benzamide hydrochloride
• CAS No.: 20188-40-3
• Molecular Formula: C8H11ClN2O
• Molecular Weight: 186.641
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80585805
• Mol file: 20188-40-3.mol

Synonyms:4-(Aminomethyl)benzamide hydrochloride;20188-40-3;4-Aminomethyl-benzamide hydrochloride;4-(Aminomethyl)benzamide HCl;4-(aminomethyl)benzamide;hydrochloride;MFCD07289058;SCHEMBL3948480;DTXSID80585805;4-(Aminomethyl)benzamidehydrochloride;AKOS008030479;CS-W007313;DS-8383;SY113707;W15750;4-(Aminomethyl)benzamide--hydrogen chloride (1/1);Z57036329

Chemical Property of 4-(Aminomethyl)benzamide hydrochloride

Chemical Property:

• PSA: 69.11000
• LogP: 2.44680
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.0559907
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

98.5% ^*data from raw suppliers

4-(aminomethyl)benzamidehydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)C(=O)N.Cl

Technology Process of 4-(Aminomethyl)benzamide hydrochloride

There total 2 articles about 4-(Aminomethyl)benzamide hydrochloride 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: 71.0%

4-cyanobenzamide (3034-34-2) → 4-(aminomethyl)benzamide hydrochloride (20188-40-3)

Guidance literature:

4-cyanobenzamide; With hydrogen; sodium triethylborohydride; cobalt(II) bromide; In tetrahydrofuran; at 110 ℃; for 12h; under 30003 Torr;

With hydrogenchloride; In diethyl ether;

DOI:10.1021/acscatal.8b02645

Reference yield:

→ 4-(aminomethyl)benzamide hydrochloride (20188-40-3)

Guidance literature:

Reference yield: 77.0%

4-(aminomethyl)benzamide hydrochloride (20188-40-3) + (2S,3Z)-5-{[(2R,3R,5S,6S)-6-{(2E,4E)-5-[(3R,4R,5R,7S)-7-{2-[(2,5-dioxopyrrolidin-1-yl)oxy]-2-oxoethyl}-4-hydroxy-1,6-dioxaspiro[2.5]oct-5-yl]-3-methylpenta-2,4-dien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate (1609105-98-7) → (2S,3Z)-5-{[(2R,3R,5S,6S)-6-{(2E,4E)-5-[(3R,4R,5R,7S)-7-{2-[(4-carbamoylbenzyl)amino]-2-oxoethyl}-4-hydroxy-1,6-dioxaspiro[2.5]oct-5-yl]-3-methylpenta-2,4-dien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate (1609108-85-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

upstream raw materials:

4-cyanobenzamide

Downstream raw materials:

(2S,3Z)-5-{[(2R,3R,5S,6S)-6-{(2E,4E)-5-[(3R,4R,5R,7S)-7-{2-[(4-carbamoylbenzyl)amino]-2-oxoethyl}-4-hydroxy-1,6-dioxaspiro[2.5]oct-5-yl]-3-methylpenta-2,4-dien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate