2-(4-Methoxy-benzoylamino)-3-methyl-butyric acid

Base Information

• Chemical Name: 2-(4-Methoxy-benzoylamino)-3-methyl-butyric acid
• CAS No.: 93709-65-0
• Molecular Formula: C13H16NO4-
• Molecular Weight: 251.282
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60409358
• Mol file: 93709-65-0.mol

Synonyms:2-(4-Methoxy-benzoylamino)-3-methyl-butyric acid;1836145-20-0;2-[(4-methoxyphenyl)formamido]-3-methylbutanoic acid;(4-Methoxybenzoyl)valine;93709-65-0;2-[(4-methoxybenzoyl)amino]-3-methylbutanoic acid;N-(4-Methoxybenzoyl)valine;Oprea1_281354;SCHEMBL7410707;DTXSID60409358;AKOS008966804;2-(4-Methoxybenzamido)-3-methylbutanoic acid;EN300-00258;Z85884583

Chemical Property of 2-(4-Methoxy-benzoylamino)-3-methyl-butyric acid

Chemical Property:

• Vapor Pressure: 2.26E-09mmHg at 25°C
• Boiling Point: 463.1°Cat760mmHg
• Flash Point: 233.8°C
• PSA: 75.63000
• Density: g/cm³
• LogP: 1.92510
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 251.11575802
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

2-(4-METHOXY-BENZOYLAMINO)-3-METHYL-BUTYRIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)OC

Technology Process of 2-(4-Methoxy-benzoylamino)-3-methyl-butyric acid

There total 9 articles about 2-(4-Methoxy-benzoylamino)-3-methyl-butyric 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: 96.0%

→ (2S)-2-(4-methoxy-benzoylamino)-3-methyl-butyric acid (93709-65-0)

Guidance literature:

With lithium hydroxide monohydrate; water; In tetrahydrofuran; at 20 ℃; for 3h; Cooling with ice;

Reference yield: 90.0%

C5H10NO2Pol + para-iodoanisole (696-62-8) + diphenylmethylsilanecarboxylic acid (18414-58-9) → (2S)-2-(4-methoxy-benzoylamino)-3-methyl-butyric acid (93709-65-0)

Guidance literature:

C₅H₁₀NO₂Pol; para-iodoanisole; diphenylmethylsilanecarboxylic acid; With potassium fluoride; C₃₉H₃₂OP₂*C₁₃H₁₂N^(1-)*Pd⁽²⁺⁾*CH₃O₃S^(1-); triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 15h; wang polystyrene resin Sealed tube; Inert atmosphere;

With triethylsilane; trifluoroacetic acid; In water; at 20 ℃; for 2h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.7b01068

Reference yield: 47.0%

(S)-methyl 2-(4-methoxybenzamido)-4-methylpentanoate → (2S)-2-(4-methoxy-benzoylamino)-3-methyl-butyric acid (93709-65-0)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 24h;

DOI:10.1021/acs.jmedchem.0c01555

upstream raw materials:

4-methoxy-benzoyl chloride

D,L-valine

C₁₄H₁₉NO₄

DL-valine methyl ester hydrochloride

Downstream raw materials:

1-(4-methoxyphenyl)pentane-1,4-dione

2-(4-methoxyphenyl)-5-oxo-4-iso-propyl-4,5-dihydrooxazole

4-MeOBz-D-Val-L-ValOMe

4-MeOBz-L-Val-L-ValOMe