3-(Aminomethyl)benzamide

Base Information

• Chemical Name: 3-(Aminomethyl)benzamide
• CAS No.: 102562-86-7
• Molecular Formula: C8H10 N2 O
• Molecular Weight: 150.18
• Hs Code.: 2924299090
• European Community (EC) Number: 821-713-0
• DSSTox Substance ID: DTXSID10435566
• Wikidata: Q82250590
• ChEMBL ID: CHEMBL4556252
• Mol file: 102562-86-7.mol

Synonyms:3-(aminomethyl)benzamide;102562-86-7;Benzamide, 3-(aminomethyl)-;3-aminomethyl-benzamide;SCHEMBL509423;CHEMBL4556252;DTXSID10435566;CEA56286;MFCD07186292;AKOS000128931;SB76574;BP-12183;BS-13449;CS-0108743;FT-0646843;EN300-31657;Y10174;(R)-3-(CARBAMOYLMETHYL)-5-METHYLHEXANOICACID

Chemical Property of 3-(Aminomethyl)benzamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 237-239 °C (decomp)
• Boiling Point: 316.392°C at 760 mmHg
• PKA: 16.05±0.50(Predicted)
• Flash Point: 145.149°C
• PSA: 69.11000
• Density: 1.172g/cm³
• LogP: 1.64480
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

3-(Aminomethyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(=O)N)CN

Technology Process of 3-(Aminomethyl)benzamide

There total 1 articles about 3-(Aminomethyl)benzamide 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: 77.0%

→ 3-(Aminomethyl)benzamide (102562-86-7)

Guidance literature:

Reference yield: 81.0%

9-fluoro-1-hydroxy-5-methyl-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid ethyl ester (257640-86-1) + 3-(Aminomethyl)benzamide (102562-86-7) → N-(3-carbamoylbenzyl)-9-fluoro-7-hydroxy-3-methyl-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 0.5h; Sealed tube; Microwave irradiation;

DOI:10.1021/acsmedchemlett.8b00540

Reference yield: 68.0%

3-(Aminomethyl)benzamide (102562-86-7) + 2-(2-(di-octylamino)-2-oxoethoxy)acetic acid (135447-09-5) → 3-({2-[2-(dioctylamino)-2-oxoethoxy]acetamido}methyl)benzamide (1325217-42-2)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1002/ejoc.201100443

Downstream raw materials:

4-(3-carbamoyl-benzylcarbamoyl)-5,5-dimethyl-thiazolidine-3-carboxylic acid tert-butyl ester

C₂₉H₂₆FN₃O₃

{(1S,2S)-1-Benzyl-3-[(R)-4-(3-carbamoyl-benzylcarbamoyl)-5,5-dimethyl-thiazolidin-3-yl]-2-hydroxy-3-oxo-propyl}-carbamic acid tert-butyl ester

(S)-[6-(3-carbamoyl-benzylcarbamoyl)-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidin-3-yl]-carbamic acid benzyl ester