(4-Butoxy-benzoylamino)-acetic acid

Base Information

• Chemical Name: (4-Butoxy-benzoylamino)-acetic acid
• CAS No.: 51220-55-4
• Molecular Formula: C₁₃H₁₇NO₄
• Molecular Weight: 251.282
• Hs Code.: 2924299090
• European Community (EC) Number: 837-774-1
• DSSTox Substance ID: DTXSID30365114
• Nikkaji Number: J1.315.728F
• Wikidata: Q82149520
• Mol file: 51220-55-4.mol

Synonyms:(4-Butoxy-benzoylamino)-acetic acid;51220-55-4;2-[(4-butoxybenzoyl)amino]acetic Acid;2-(4-Butoxybenzamido)acetic acid;2-[(4-butoxyphenyl)formamido]acetic acid;(4-Butoxy-benzoylamino)acetic acid;N-(4-Butoxybenzoyl)glycine;PROPOXYPHENEHYDROCHLORIDE;SCHEMBL12894669;2-(4-Butoxybenzamido)aceticacid;(4-butoxybenzoylamino)acetic acid;DTXSID30365114;N-[(4-butoxyphenyl)carbonyl]glycine;STL480903;AKOS000202666;CS-0219718;EN300-04768;(4-butoxy-benzoylamino)-acetic acid, AldrichCPR;SR-01000039463;SR-01000039463-1;Z56886313

Chemical Property of (4-Butoxy-benzoylamino)-acetic acid

Chemical Property:

• Vapor Pressure: 6.26E-10mmHg at 25°C
• Boiling Point: 477.6°Cat760mmHg
• Flash Point: 242.6°C
• PSA: 75.63000
• Density: g/cm³
• LogP: 2.07080
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 251.11575802
• Heavy Atom Count: 18
• Complexity: 272

Purity/Quality:

97% ^*data from raw suppliers

(4-BUTOXY-BENZOYLAMINO)-ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)O

Technology Process of (4-Butoxy-benzoylamino)-acetic acid

There total 4 articles about (4-Butoxy-benzoylamino)-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: 36.0%

glycine (56-40-6,18875-39-3,25718-94-9) + 4-(n-butyloxy)benzoyl chloride (33863-86-4) → 4-hydroxybenzoyl-glycine n-butyl ether (51220-55-4)

Guidance literature:

With sodium hydroxide; In water;

Reference yield:

butan-1-ol (71-36-3) → 4-hydroxybenzoyl-glycine ethyl ether (51220-52-1) + 4-hydroxybenzoyl-glycine n-butyl ether (51220-55-4)

Guidance literature:

With sodium hydroxide; triphenylphosphine; diethylazodicarboxylate; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, 1 h; 2.) 10 min;

DOI:10.1016/0040-4039(95)01247-F

Reference yield:

N-(fluoren-9-ylmethoxycarbonyl)glycine (29022-11-5) + butan-1-ol (71-36-3) + 4-hydroxy-benzoic acid (99-96-7) → 4-hydroxybenzoyl-glycine n-butyl ether (51220-55-4)

Guidance literature:

Multistep reaction;

DOI:10.1016/S0040-4039(00)00479-2

upstream raw materials:

butan-1-ol

N-(fluoren-9-ylmethoxycarbonyl)glycine

4-hydroxy-benzoic acid

glycine

Downstream raw materials:

C₂₃H₂₅NO₅

C₂₁H₂₁NO₄

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