4-(Dimethylamino)phenylacetic acid

Base Information

• Chemical Name: 4-(Dimethylamino)phenylacetic acid
• CAS No.: 17078-28-3
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• European Community (EC) Number: 628-140-3
• DSSTox Substance ID: DTXSID90168941
• Nikkaji Number: J585.452K
• Wikidata: Q72469125
• Mol file: 17078-28-3.mol

Synonyms:4-dimethylaminophenylacetate;4-N,N-dimethylaminophenylacetic acid

Chemical Property of 4-(Dimethylamino)phenylacetic acid

Chemical Property:

• Vapor Pressure: 7.44E-05mmHg at 25°C
• Melting Point: 105-108 °C(lit.)
• Boiling Point: 328.8°Cat760mmHg
• PKA: 3.99±0.10(Predicted)
• Flash Point: 152.7°C
• PSA: 40.54000
• Density: 1.157g/cm³
• LogP: 1.37970
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99%, ^*data from raw suppliers

4-(Dimethylamino)-benzeneaceticacid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-(Dimethylamino)phenylacetic acid

There total 7 articles about 4-(Dimethylamino)phenylacetic 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: 73.0%

trimethyl phosphite (512-56-1) + methyl p-aminophenylacetate (39552-81-3) → 2-[4-(dimethylamino)phenyl]acetic acid (17078-28-3)

Guidance literature:

With tetrabutylammomium bromide; potassium hydroxide; at 80 ℃; for 6h; Inert atmosphere;

Reference yield: 63.0%

C12H14Cl3NO2 (1255911-43-3) → 4-dimethylaminophenylacetic acid 2-deuterio-2,2-dichloroethyl ester (1255911-54-6) + 2-[4-(dimethylamino)phenyl]acetic acid (17078-28-3)

Guidance literature:

With indium; deuterated ammonium chloride; In tetrahydrofuran-d8; water-d2; at 20 ℃; for 22h; chemoselective reaction; Reflux;

DOI:10.1016/j.tetlet.2010.09.039

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-aminophenylacetic acid (1197-55-3) → 2-[4-(dimethylamino)phenyl]acetic acid (17078-28-3)

Guidance literature:

With sodium cyanoborohydride; In water; for 0.00277778h; Sonication;

upstream raw materials:

4-aminophenylacetic acid

C₁₂H₁₄Cl₃NO₂

formaldehyd

methyl p-aminophenylacetate

Downstream raw materials:

α-(p-Dimethylaminophenyl)-β-dimethylaminoacrolein

carboxy<4-(dimethylamino)phenyl>methyl 1,1-dimethylethyl nitroxide lithium salt

(1R,2R)-trans-cyclohexanediol mono-p-dimethylaminophenylacetate

(1R,2R)-trans-cyclohexanediol bis-p-dimethylaminophenylacetate

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