Ethyl butyrimidate

Base Information

• Chemical Name: Ethyl butyrimidate
• CAS No.: 998-97-0
• Molecular Formula: C6H13NO
• Molecular Weight: 115.175
• DSSTox Substance ID: DTXSID10274578,DTXSID40902539
• Nikkaji Number: J2.144.866D
• Wikidata: Q82003961
• Mol file: 998-97-0.mol

Synonyms:ethyl butyrimidate;998-97-0;ethylbutyrimidate;ethyl butaneimidate;ethyl butyroimidate;NoName_3053;Butanimidic acid ethyl ester;ETHYL BUTANECARBOXIMIDATE;SCHEMBL3293944;DTXSID10274578;DTXSID40902539;EN300-1722061

Chemical Property of Ethyl butyrimidate

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 70.9

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(=N)OCC

Technology Process of Ethyl butyrimidate

There total 1 articles about Ethyl butyrimidate 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:

propyl cyanide (109-74-0) + ethanol (64-17-5) → ethyl butyrimidate hydrochloride (2208-08-4) + ethyl butyrimidate (998-97-0)

Guidance literature:

With hydrogenchloride; In water; at 18 ℃; for 1h; Temperature;

Reference yield: 83.0%

ethyl butyrimidate (998-97-0) + monophenylthiourea (103-85-5) → (E)-1,2-diphenyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)guanidine

Guidance literature:

With [bis(acetoxy)iodo]benzene; In acetonitrile; at 20 ℃;

DOI:10.1055/s-0037-1611854

Reference yield: 57.0%

ethyl 3-(7-amidino-2-naphthyl)-2-{4-[(3S)-pyrrolidin-3-yloxy]phenyl}propanoate (212139-24-7) + ethyl butyrimidate (998-97-0) → 3-(7-amidino-2-naphthyl)-2-{4-[(3S)-1-butanimidoylpyrrolidin-3-yloxy]phenyl}propanoic acid dihydrochloride

Guidance literature:

ethyl 3-(7-amidino-2-naphthyl)-2-{4-[(3S)-pyrrolidin-3-yloxy]phenyl}propanoate; ethyl butyrimidate; With triethylamine; In ethanol; at 20 ℃; for 16h;

With hydrogenchloride; for 0.5h; Heating;

DOI:10.1016/j.bmc.2004.02.032

upstream raw materials:

propyl cyanide

ethanol

Downstream raw materials:

5-(1-phenyl-ethylidene)-2-propyl-3,5-dihydro-imidazol-4-one

5-isopropylidene-2-propyl-3,5-dihydro-imidazol-4-one

propyl cyanide

ethanol

Refernces