Butylisopropylamine

Base Information

• Chemical Name: Butylisopropylamine
• CAS No.: 39099-23-5
• Molecular Formula: C7H17 N
• Molecular Weight: 115.219
• Hs Code.: 2921199090
• European Community (EC) Number: 254-291-6
• DSSTox Substance ID: DTXSID90192342
• Nikkaji Number: J121.679A
• Wikidata: Q63398353
• Mol file: 39099-23-5.mol

Synonyms:N-isopropylbutan-1-amine;Butylisopropylamine;39099-23-5;N-Isopropylbutylamine;N-propan-2-ylbutan-1-amine;Isopropylbutylamine;butyl(propan-2-yl)amine;1-Butanamine, N-(1-methylethyl)-;EINECS 254-291-6;Butyl-isopropyl-amine;Isopropyl-n-butylamin;N-Isopropylbutyl amine;n-butyl isopropyl amine;Butylamine, N-isopropyl-;n-Butyl-N-isopropylamine #;SCHEMBL269744;N-(propan-2-yl)butan-1-amine;DTXSID90192342;MFCD00027907;STL067190;N-Butyl-N-isopropylamine, AldrichCPR;AKOS000161628;LS-03821;BB 0222348;FT-0683520;Q63398353;F1911-1667

Chemical Property of Butylisopropylamine

Chemical Property:

• Vapor Pressure: 10.8mmHg at 25°C
• Boiling Point: 128.1°Cat760mmHg
• PKA: 10.84±0.28(Predicted)
• Flash Point: 16.3°C
• PSA: 12.03000
• Density: 0.751g/cm³
• LogP: 2.17540
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 115.136099547
• Heavy Atom Count: 8
• Complexity: 41.7

Purity/Quality:

98%Min ^*data from raw suppliers

N-Isopropylbutan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(C)C

Technology Process of Butylisopropylamine

There total 11 articles about Butylisopropylamine 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: 85.0%

propyl cyanide (109-74-0) + isopropyl alcohol (67-63-0,8013-70-5) → N-isopropyl-N-butylamine (39099-23-5) + dibutylamine (111-92-2)

Guidance literature:

With Co(9.8%)/SiO2 catalyst; hydrogen; at 129.84 ℃; under 9750.98 Torr;

DOI:10.1016/j.jcat.2019.10.011

Reference yield: 47.0%

tributyl borane (122-56-5) + O-(p-toluenesulfonyl)-N-isopropylhydroxylamine (82820-50-6) → N-isopropyl-N-butylamine (39099-23-5)

Guidance literature:

In tetrahydrofuran; for 2h; Ambient temperature;

Reference yield:

n-Butyraldehyd-isopropylimin (72037-50-4) → N-isopropyl-N-butylamine (39099-23-5)

Guidance literature:

With nickel; Petroleum ether; at 75 ℃; under 154457 Torr; Hydrogenation;

upstream raw materials:

n-Butyraldehyd-isopropylimin

propene

N-butylamine

butyraldehyde

Downstream raw materials:

Selexipag

2-{4-[N-(5,6-diphenylpyrazin-2-yl)-N-isopropylamino]butyloxy}acetic acid tert-butyl ester

MRE-269

4-[N-(5,6-diphenylpyrazine-2-yl)-N-isopropylamino]-1-butanol

Refernces

• 1、 -. "METHOD FOR PRODUCING N-SUBSTITUTED AMINE COMPOUNDS THROUGH CATALYZED ALKYLATION". Paragraph 0044. . Retrieved 2014/02/16.
• 2、 Burton, Allen W.. "A priori phase prediction of zeolites: Case study of the structure-directing effects in the synthesis of MTT-type zeolites". . p. 7627 - 7637. Retrieved 2008/02/08.