METHYL 4-((TERT-BUTOXYCARBONYLAMINO)METHYL)BENZOATE

Base Information

• Chemical Name: METHYL 4-((TERT-BUTOXYCARBONYLAMINO)METHYL)BENZOATE
• CAS No.: 120157-96-2
• Molecular Formula: C14H19NO4
• Molecular Weight: 265.309
• Hs Code.: 2924299090
• Mol file: 120157-96-2.mol

Synonyms:methyl 4-(N-tert-butoxycarbonylaminomethyl)benzoate;methyl N-Boc-p-aminomethylbenzoate;4-(t-butoxycarbonylamino-methyl)-benzoic acid methyl ester;Methyl 4-(((tert-butoxycarbonyl)amino)methyl)benzoate;

Chemical Property of METHYL 4-((TERT-BUTOXYCARBONYLAMINO)METHYL)BENZOATE

Chemical Property:

• Melting Point: 73.5-74 °C
• Boiling Point: 398.5±35.0 °C(Predicted)
• PKA: 11.90±0.46(Predicted)
• PSA: 68.12000
• Density: 1.112±0.06 g/cm3(Predicted)
• LogP: 2.70230
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

Methyl4-(((tert-butoxycarbonyl)amino)methyl)benzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL 4-((TERT-BUTOXYCARBONYLAMINO)METHYL)BENZOATE

There total 15 articles about METHYL 4-((TERT-BUTOXYCARBONYLAMINO)METHYL)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: 95.0%

methanol (67-56-1) + 4-(tert-Butoxycarbonylaminomethyl)benzoic acid (33233-67-9) → methyl 4-[N-(tert-butoxycarbonyl)aminomethyl]benzoate (120157-96-2)

Guidance literature:

4-(tert-Butoxycarbonylaminomethyl)benzoic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; for 0.0833333h;

methanol; In dichloromethane; at 20 ℃; for 18h; Product distribution / selectivity;

Reference yield: 94.0%

di-tert-butyl dicarbonate (24424-99-5) + methyl 4-(aminomethyl)benzoate hydrochloride (6232-11-7) → methyl 4-[N-(tert-butoxycarbonyl)aminomethyl]benzoate (120157-96-2)

Guidance literature:

With triethanolamine; In dichloromethane;

Reference yield: 94.0%

methyl 4-(aminomethyl)benzoate (18469-52-8) + S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine (41840-28-2) → methyl 4-[N-(tert-butoxycarbonyl)aminomethyl]benzoate (120157-96-2)

Guidance literature:

With triethylamine; In 1,4-dioxane; water; for 6h; Ambient temperature;

upstream raw materials:

methyl 4-(aminomethyl)benzoate

S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine

4-(tert-Butoxycarbonylaminomethyl)benzoic acid

methyl iodide

Downstream raw materials:

tert-butyl 4-hydroxymethylbenzylcarbamate

tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-(methyl)carbamate

tert-butyl {4-[2-(4-but-2-ynyloxybenzenesulfonyl)acetyl]benzyl}carbamate

tert-butyl N-[[4-[5-[3-[bis(tert-butoxycarbonyl)amino]-6-(4-isopropylsulfonylphenyl)pyrazin-2-yl]isoxazol-3-yl]phenyl]methyl]-N-(trideuteriomethyl)carbamate

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、 -. "PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE". Paragraph 00177. . Retrieved 2013/04/13.