2-(4-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid

Base Information

• Chemical Name: 2-(4-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid
• CAS No.: 71420-92-3
• Molecular Formula: C14H19 N O4
• Molecular Weight: 265.309
• Hs Code.: 29225090
• European Community (EC) Number: 809-538-8
• Mol file: 71420-92-3.mol

Synonyms:71420-92-3;2-(4-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid;4-Boc-aminomethylphenylacetic acid;BOC-(4-AMINOMETHYLPHENYL)ACETIC ACID;2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetic Acid;MFCD06656436;2-[4-[[(tert-butoxycarbonyl)amino]methyl]phenyl]acetic Acid;2-[4-({[(tert-butoxy)carbonyl]amino}methyl)phenyl]acetic acid;SCHEMBL1244728;[4-(tert-Butoxycarbonylamino-methyl)-phenyl]-acetic acid;2-(4-(((tert-Butoxycarbonyl)amino)methyl)phenyl)aceticacid;AMY7674;LXPQNTNSSNXGIN-UHFFFAOYSA-N;4-(TERT-BUTOXYCARBONYLAMINO-METHYL)-PHENYL-ACETIC ACID;AKOS015891416;AS-42127;SY066521;CS-0130588;FT-0679881;4-Boc-aminomethylphenylacetic acid, AldrichCPR;EN300-1720933;4-(N-t-butoxycarbonylaminomethyl)phenylacetic acid;[4-(tert-Butoxycarbonylamino-methyl)phenyl]acetic acid;[4-(tert-Butoxycarbonylaminomethyl)-phenyl]-acetic acid;Z1505700761

Chemical Property of 2-(4-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid

Chemical Property:

• Boiling Point: 441.5±33.0 °C(Predicted)
• PKA: 4.32±0.10(Predicted)
• PSA: 75.63000
• Density: 1.163±0.06 g/cm3(Predicted)
• LogP: 2.72930
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 265.13140809
• Heavy Atom Count: 19
• Complexity: 314

Purity/Quality:

98%min ^*data from raw suppliers

4-Boc-aminomethylphenylacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CC(=O)O
• Uses: 4-Boc-aminomethylphenylacetic Acid is used in the synthesis of glycine-site NMDA antagonists with anticonvulsant activities. It is also used to prepare potent dipeptide inhibitors of the pp60c-src SH2 domain.

Technology Process of 2-(4-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid

There total 14 articles about 2-(4-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid 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%

→ 2-(4-(((tert-butoxycarbonyl)amino)methyl)phenyl)acetic acid (71420-92-3)

Guidance literature:

Reference yield: 53.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-(4-(aminomethyl)phenyl)acetic acid (1200-05-1) → 2-(4-(((tert-butoxycarbonyl)amino)methyl)phenyl)acetic acid (71420-92-3)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; at 20 ℃; for 24h;

Reference yield: 50.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-(4-(aminomethyl)phenyl)acetic acid hydrochloride (42383-05-1) → 2-(4-(((tert-butoxycarbonyl)amino)methyl)phenyl)acetic acid (71420-92-3)

Guidance literature:

di-tert-butyl dicarbonate; 2-(4-(aminomethyl)phenyl)acetic acid hydrochloride; With sodium hydroxide; In 1,4-dioxane; water; for 24h;

With citric acid; In water;

upstream raw materials:

di-tert-butyl dicarbonate

2-(4-(aminomethyl)phenyl)acetic acid

(4-Azidomethyl-phenyl)-acetic acid benzyl ester

[4-(tert-butoxycarbonylamino-methyl)-phenyl]-acetic acid methyl ester

Downstream raw materials:

C₁₄H₂₀N₂O₃

C₉H₁₂N₂O*ClH

C₁₆H₁₆N₂O₄S

C₁₅H₁₆N₄O₃S

Refernces

• 1、 -. "COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES AS GLUTAMINASE INHIBITORS FOR TREATING CANCERS THEREOF". Page/Page column 148-149; 160-161. . Retrieved 2014/06/11.
• 2、 -. "6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS". Page/Page column 116. . Retrieved 2010/11/26.