4-Bromo-butyrimidic acid ethyl ester

Base Information

• Chemical Name: 4-Bromo-butyrimidic acid ethyl ester
• CAS No.: 503617-44-5
• Molecular Formula: C6H12BrNO
• Molecular Weight: 194.07
• DSSTox Substance ID: DTXSID30699244
• Wikidata: Q82630087
• Mol file: 503617-44-5.mol

Synonyms:4-BROMO-BUTYRIMIDIC ACID ETHYL ESTER;503617-44-5;Ethyl 4-bromobutanimidate;Ethyl4-bromobutanimidate;DTXSID30699244;AKOS006287372;ETHYL 4-BROMOBUTANECARBOXIMIDATE

Chemical Property of 4-Bromo-butyrimidic acid ethyl ester

Chemical Property:

• PSA: 33.08000
• LogP: 2.27500
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 193.01023
• Heavy Atom Count: 9
• Complexity: 85.1

Purity/Quality:

4-Bromo-butyrimidicacidethylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=N)CCCBr

Technology Process of 4-Bromo-butyrimidic acid ethyl ester

There total 1 articles about 4-Bromo-butyrimidic acid ethyl ester 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:

ethanol (64-17-5) + 4-bromobutanenitrile (5332-06-9) → 4-Brom-buttersaeureimido-aethylester (503617-44-5)

Guidance literature:

With hydrogenchloride; In diethyl ether;

DOI:10.1021/jo01053a064

upstream raw materials:

ethanol

4-bromobutanenitrile