4-Aminomethylphenylacetic acid

Base Information

• Chemical Name: 4-Aminomethylphenylacetic acid
• CAS No.: 1200-05-1
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID60363789
• Nikkaji Number: J1.341.385A
• Wikidata: Q72439863
• Mol file: 1200-05-1.mol

Synonyms:4-Aminomethylphenylacetic acid;1200-05-1;4-(aminomethyl)phenylacetic acid;2-(4-(Aminomethyl)phenyl)acetic acid;2-[4-(aminomethyl)phenyl]acetic Acid;4-Aminomethyl-phenylacetic acid;(4-Aminomethyl-phenyl)-acetic acid HCl;2-(4-(Aminomethyl)phenyl)aceticacid;Benzeneacetic acid, 4-(aminomethyl)-;4-Aminomethylphenylaceticacid;SCHEMBL933080;DTXSID60363789;4-(aminomethyl)-phenylacetic acid;MFCD04038436;AKOS012900359;AB17066;AS-40409;4-aminomethylphenylacetic acid, AldrichCPR;[4-(AMINOMETHYL)PHENYL]ACETIC ACID;CS-0213353;FT-0690553;EN300-307050;A804408

Chemical Property of 4-Aminomethylphenylacetic acid

Chemical Property:

• Vapor Pressure: 4.32E-05mmHg at 25°C
• Refractive Index: 1.584
• Boiling Point: 336.7 °C at 760 mmHg
• PKA: 4.04±0.10(Predicted)
• Flash Point: 157.4 °C
• PSA: 63.32000
• Density: 1.206 g/cm³
• LogP: 1.47270
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

4-(Aminomethyl)phenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)O)CN

Technology Process of 4-Aminomethylphenylacetic acid

There total 9 articles about 4-Aminomethylphenylacetic 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) → 2-(4-(aminomethyl)phenyl)acetic acid (1200-05-1)

Guidance literature:

With chlorotriisopropylsilane; trifluoroacetic acid; at 20 ℃; for 0.5h;

Reference yield: 94.0%

4-cyanophenylacetic acid (5462-71-5) → 2-(4-(aminomethyl)phenyl)acetic acid (1200-05-1)

Guidance literature:

With ammonium hydroxide; hydrogen; In water; at 20 ℃; for 48h;

Reference yield:

4-bromophenylacetic acid (13737-36-5) → 2-(4-(aminomethyl)phenyl)acetic acid (1200-05-1)

Guidance literature:

With ammonia; In ethanol; for 1h; Ambient temperature;

DOI:10.1021/jm00101a006

upstream raw materials:

4-chloromethylphenylacetic acid

(4-phthalimidomethyl-phenyl)-acetic acid

{4-[(2-chloro-acetylamino)-methyl]-phenyl}-acetic acid

ethyl 2-[4-(aminomethyl)phenyl]acetate

Downstream raw materials:

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

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

C₃₄H₅₄N₄O₁₀

C₃₃H₄₅N₇O₁₇S