Ethyl 2-(butylamino)acetate

Base Information

• Chemical Name: Ethyl 2-(butylamino)acetate
• CAS No.: 3182-83-0
• Molecular Formula: C8H17NO2
• Molecular Weight: 159.228
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID60442346
• Nikkaji Number: J2.743.749D
• Wikidata: Q82259573
• Mol file: 3182-83-0.mol

Synonyms:ethyl 2-(butylamino)acetate;3182-83-0;Butylamino-acetic acid ethyl ester;N-butylglycine ethyl ester;ethyl N-butylglycinate;Glycine, N-butyl-, ethyl ester;Ethyl butylglycinate;ethyl2-(butylamino)acetate;SCHEMBL6074966;Butylaminoacetic acid ethyl ester;DTXSID60442346;OJFGRDHUZSJJPB-UHFFFAOYSA-N;AB3730;MFCD09953131;AKOS000256283;CS-0297715;EN300-7272769

Chemical Property of Ethyl 2-(butylamino)acetate

Chemical Property:

• PSA: 38.33000
• LogP: 1.33010
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 159.125928785
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

95% ^*data from raw suppliers

Butylamino-aceticacidethylester 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCNCC(=O)OCC

Technology Process of Ethyl 2-(butylamino)acetate

There total 9 articles about Ethyl 2-(butylamino)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: 90.0%

ethyl bromoacetate (105-36-2) + N-butylamine (109-73-9,85404-21-3) → ethyl 2-(n-butyl)aminoacetate (3182-83-0)

Guidance literature:

In toluene; at 20 ℃;

DOI:10.1016/j.bmcl.2009.05.010

Reference yield: 60.0%

diazoacetic acid ethyl ester (623-73-4) + N-butylamine (109-73-9,85404-21-3) → ethyl 2-(n-butyl)aminoacetate (3182-83-0)

Guidance literature:

NCPS-Ru; In toluene; at 70 ℃; Conversion of starting material;

Reference yield: 57.0%

ethanol (64-17-5) + N-butylamine (109-73-9,85404-21-3) + chloroacetic acid (79-11-8) → ethyl 2-(n-butyl)aminoacetate (3182-83-0)

Guidance literature:

N-butylamine; chloroacetic acid; for 4h; Heating;

ethanol; With sulfuric acid; for 48h; Further stages.; Heating;

DOI:10.1002/ejoc.200700114

upstream raw materials:

chloroacetic acid ethyl ester

N-butylamine

ethyl bromoacetate

1-iodo-butane

Downstream raw materials:

2-(N-butylamino)acetic acid hydrochloride

hydantoin, 1-butyl-

1-Butyl-3-phenylhydantoin

N-butyl-N-(4-nitrobenzoyl)glycine

Refernces

• 1、 Anding, Bernie J.,Woo, L. Keith. "Iridium porphyrin catalyzed N-H insertion reactions: Scope and mechanism". . p. 2599 - 2607. Retrieved 2013/06/26.
• 2、 Zhu, Zhao-Yong,Shi, Qing-Ming,Han, Bao-Feng,Wang, Xian-Feng,Qiang, Sheng,Yang, Chun-Long. "Synthesis, characterization and biological activities of novel (E)-3-(1-(alkyloxyamino)ethylidene)-1-alkylpyrrolidine-2,4-dione derivatives". experimental part. p. 2467 - 2472. Retrieved 2010/12/18.