Methyl 4-(aminomethyl)benzoate hydrochloride

Base Information

• Chemical Name: Methyl 4-(aminomethyl)benzoate hydrochloride
• CAS No.: 6232-11-7
• Molecular Formula: C9H11NO2^.HCl
• Molecular Weight: 201.653
• Hs Code.: 29224999
• European Community (EC) Number: 806-281-3
• DSSTox Substance ID: DTXSID30977872
• Mol file: 6232-11-7.mol

Synonyms:Methyl 4-(aminomethyl)benzoate hydrochloride;6232-11-7;methyl 4-aminomethyl-benzoate hydrochloride;Methyl 4-(aminomethyl)benzoate, HCl;METHYL 4-(AMINOMETHYL)BENZOATE HCL;MFCD00182671;4-(Aminomethyl)benzoic Acid Methyl Ester Hydrochloride;Methyl4-(Aminomethyl)benzoateHydrochloride;methyl 4-(aminomethyl)benzoate;hydrochloride;Benzoic acid, 4-(aminomethyl)-, methyl ester, hydrochloride;Methyl-4-(aminomethyl)benzoate hydrochloride;methyl 4-aminomethylbenzoate hydrochloride;SCHEMBL210547;4-AMINOMETHYLBENZOIC ACID METHYL ESTER HYDROCHLORIDE;DTXSID30977872;GIZCKBSSWNIUMZ-UHFFFAOYSA-N;BCP15634;CCG-45613;methyl 4-(aminomethyl)-benzoate HCl;2-FLUOROPROPENOICACIDBUTYLESTER;4-carbomethoxy-benzylammonium chloride;4-carbomethoxybenzylamine hydrochloride;AKOS005255121;AC-4644;AM83211;CS-W001885;DS-1571;PS-8194;SB37975;4-methoxycarbonylbenzylamine hydrochloride;SY014877;4-Aminomethyl-benzoic acid methyl ester HCl;FT-0651707;M2200;EN300-02434;methyl 4-(amino methyl)benzoate hydrochloride;Methyl 4-(aminomethyl)-benzoate hydrochloride;methyl 4-(aminomethyl)benzoate hydro-chloride;methyl-4-(amino methyl)benzoate hydrochloride;methyl-4-aminomethylbenzoate hydrochloride salt;4-aminomethyl-benzoic acid methyl ester HCl salt;methyl 4-(aminomethyl)benzoate hydrochloride salt;methyl 4-(aminomethyl)benzoate hydrogen chloride;Methyl 4-(aminomethyl)benzoate hydrochloride, 97%;SR-01000635367-1;4-aminomethyl-benzoic acid methyl ester hydrochloride;methyl 4-(aminomethyl)benzenecarboxylate hydrochloride;Z56839665;4-(Aminomethyl) benzoic acid methyl ester hydrochloride;Methyl 4-(aminomethyl)benzoate--hydrogen chloride (1/1);4-aminomethyl-benzoic acid methyl ester hydrochloride salt;4-Aminomethylbenzoic acid methyl ester, hydrochloride salt

Chemical Property of Methyl 4-(aminomethyl)benzoate hydrochloride

Chemical Property:

• Melting Point: 243 °C (dec.)(lit.)
• Density: 1.45 g/cm³
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.0556563
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 4-(Aminomethyl)benzoate Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)CN.Cl
• Uses: Methyl 4-(aminomethyl)benzoate hydrochloride may be used in the preparation of methyl 4-((3-butyl-3-phenylureido)methyl)benzoate.

Technology Process of Methyl 4-(aminomethyl)benzoate hydrochloride

There total 14 articles about Methyl 4-(aminomethyl)benzoate 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: 100.0%

methanol (67-56-1) + p-aminomethylbenzoic acid (56-91-7) → methyl 4-(aminomethyl)benzoate hydrochloride (6232-11-7)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃; for 24h;

DOI:10.1021/acs.jmedchem.5b00621

Reference yield: 99.0%

methyl 4-(azidomethyl)benzoate (94341-53-4) → methyl 4-(aminomethyl)benzoate hydrochloride (6232-11-7)

Guidance literature:

methyl 4-(azidomethyl)benzoate; With 1,3-diphenyl-disiloxane; triphenylphosphine; at 20 ℃; for 24h;

With water;

With hydrogenchloride; In 1,4-dioxane; chemoselective reaction;

DOI:10.1021/acs.joc.9b00831

Reference yield: 98.3%

p-aminomethylbenzoic acid (56-91-7) → methyl 4-(aminomethyl)benzoate hydrochloride (6232-11-7)

Guidance literature:

With methanol; thionyl chloride; Reflux;

DOI:10.1002/anie.201008020

upstream raw materials:

methyl 4-[N-(tert-butoxycarbonyl)aminomethyl]benzoate

methanol

p-aminomethylbenzoic acid

4-(tert-Butoxycarbonylaminomethyl)benzoic acid

Downstream raw materials:

methyl 4-(N,N-dimethylaminomethyl)benzoate

methyl 4-(4-dimethylaminobenzoyl)aminomethylbenzoate

methyl 4-(phenylsulfonamidomethyl)benzoate

methyl 4-({[(4'-fluoro[1,1'-biphenyl]-4-yl)carbonyl]amino}methyl)benzoate

Refernces

• 1、 Bendele, Alison M.,Neelagiri, Madhavi,Neelagiri, Venugopal,Sucholeiki, Irving. "Development of a selective matrix metalloproteinase 13 (MMP-13) inhibitor for the treatment of Osteoarthritis". . . Retrieved 2021/07/12.
• 2、 Utsumi, Tatsuki,Noda, Kenta,Kawauchi, Daichi,Ueda, Hirofumi,Tokuyama, Hidetoshi. "Nitrile Synthesis by Aerobic Oxidation of Primary Amines and in situ Generated Imines from Aldehydes and Ammonium Salt with Grubbs Catalyst". supporting information. p. 3583 - 3588. Retrieved 2020/08/05.