4-Benzamidooxybutyl acetate

Base Information

• Chemical Name: 4-Benzamidooxybutyl acetate
• CAS No.: 124617-84-1
• Molecular Formula: C13H17 N O4
• Molecular Weight: 251.282
• DSSTox Substance ID: DTXSID90924882
• Wikidata: Q82899104
• Mol file: 124617-84-1.mol

Synonyms:4-benzamidooxybutyl acetate;124617-84-1;Acetic acid,benzoylbutoxyazanyl ester;CCRIS 5333;DTXSID90924882;N-(ACETYLOXY)-N-BUTOXYBENZAMIDE;N-[4-(Acetyloxy)butoxy]benzenecarboximidic acid

Chemical Property of 4-Benzamidooxybutyl acetate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 55.84000
• Density: 1.131g/cm³
• LogP: 2.33860
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 251.11575802
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCCCONC(=O)C1=CC=CC=C1

Technology Process of 4-Benzamidooxybutyl acetate

There total 4 articles about 4-Benzamidooxybutyl acetate 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: 82.0%

silver(I) acetate (563-63-3) + butyl N-chlorobenzohydroxamate (124617-88-5) → butyl N-acetoxybenzohydroxamate (124617-84-1)

Guidance literature:

In diethyl ether;

DOI:10.1016/S0040-4039(00)99089-0

Reference yield:

benzoic acid ethyl ester (93-89-0,99341-95-4) → butyl N-acetoxybenzohydroxamate (124617-84-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 55 percent / potassium hydroxide, hydroxylamine hydrochloride / methanol

2: 52 percent / sodium carbonate / methanol; H₂O

3: tert-butyl hypochlorite / CH₂Cl₂ / 3 h

4: 82 percent / diethyl ether / Ambient temperature

With potassium hydroxide; tert-butylhypochlorite; hydroxylamine hydrochloride; sodium carbonate; In methanol; diethyl ether; dichloromethane; water;

Reference yield:

N-benzoyl-O-butylhydroxylamine (23362-50-7) → butyl N-acetoxybenzohydroxamate (124617-84-1)

Guidance literature:

Multi-step reaction with 2 steps

1: tert-butyl hypochlorite / CH₂Cl₂ / 3 h

2: 82 percent / diethyl ether / Ambient temperature

With tert-butylhypochlorite; In diethyl ether; dichloromethane;

upstream raw materials:

silver(I) acetate

butyl N-chlorobenzohydroxamate

benzoic acid ethyl ester

N-benzoyl-O-butylhydroxylamine

Downstream raw materials:

3-benzoyl-2-oxa-3-azabicyclo<2.2.1>hept-5-ene

benzoic acid, butyl ester

acetic acid

oxidized glutathione

Refernces

• 1、 Gerdes, Robert G.,Glover, Stephen A,Have, Jose F. ten,Rowbottom, Colleen A.. "N-ACETOXY-N-ALKOXYAMIDES - A NEW CLASS OF NITRENIUM ION PRECURSORS WICH ARE MUTAGENIC". . p. 2649 - 2652. Retrieved 2007/10/02.