N-Butylidenebutylamine

Base Information

• Chemical Name: N-Butylidenebutylamine
• CAS No.: 4853-56-9
• Molecular Formula: C8H17 N
• Molecular Weight: 127.23
• European Community (EC) Number: 225-447-0
• NSC Number: 4788
• UNII: ZFZ8268TMG
• DSSTox Substance ID: DTXSID3063625
• Nikkaji Number: J26.147E
• Mol file: 4853-56-9.mol

Synonyms:N-Butylidenebutylamine;butyl(butylidene)amine;1-Butanamine, N-butylidene-;N-Butylidene-1-butanamine;4853-56-9;Butylamine, N-butylidene-;130716-87-9;N-Butyl-1-butanimine;ZFZ8268TMG;NSC 4788;NSC-4788;EINECS 225-447-0;N-butylbutan-1-imine;N-butylidenebutan-1-amine;NSC4788;butylidene-butylamine;UNII-ZFZ8268TMG;N-[butylidene]butan-1-amine;SCHEMBL6658330;DTXSID3063625;SCHEMBL14895229;N-BUTYLIDENE-1-BUTYLAMINE;N-[(E)-Butylidene]-1-butanamine #;1-Butanamine, N-butylidene-, [N(E)]-;EN300-96713

Chemical Property of N-Butylidenebutylamine

Chemical Property:

• Vapor Pressure: 1.1mmHg at 25°C
• Boiling Point: 182.4°Cat760mmHg
• Flash Point: 55.4°C
• PSA: 12.36000
• Density: 0.77g/cm³
• LogP: 2.65740
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 127.136099547
• Heavy Atom Count: 9
• Complexity: 67

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN=CCCC

Technology Process of N-Butylidenebutylamine

There total 32 articles about N-Butylidenebutylamine 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: 99.0%

butyraldehyde (123-72-8) + N-butylamine (109-73-9,85404-21-3) → (butylidene)butylamine (4853-56-9)

Guidance literature:

With HC(CMeN(2,6-Et₂C₆H₃)₂₎Al(μ-S)₂AlHC(CMeN(2,6-Et₂C₆H₃))₂; In chloroform-d1; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.ica.2017.05.034

Reference yield: 90.0%

N-butylamine (109-73-9,85404-21-3) → (butylidene)butylamine (4853-56-9)

Guidance literature:

ruthenium complex; In toluene; at 77 ℃; for 16h; Inert atmosphere;

Reference yield: 90.0%

N-butylamine (109-73-9,85404-21-3) → propyl cyanide (109-74-0) + (butylidene)butylamine (4853-56-9)

Guidance literature:

With oxygen; In para-xylene; at 110 ℃; for 1h;

DOI:10.1039/c4cc00024b

upstream raw materials:

butyraldehyde

N-butylamine

N-(1-phenylethylidene)butylamine

dibutylamine

Downstream raw materials:

butyl-(1-propyl-prop-2-ynyl)-amine

(1-Butylamino-butyl)-phosphonic acid dimethyl ester

N-butylbenzamide

N-[(1E)-1-butenyl]-N-butylbenzamide

Refernces

• 1、 Sakaguchi, Satoshi,Mizuta, Tomoya,Furuwan, Masuyuki,Kubo, Takashi,Ishii, Yasutaka. "Iridium-catalyzed coupling of simple primary or secondary amines, aldehydes and trimethylsilylacetylene: Preparation of propargylic amines". . p. 1638 - 1639. Retrieved 2004.
• 2、 Emerson,Hess,Uhle. "-". . p. 872. Retrieved 1941.
• 3、 Wang, Ying-Xia,Wang, Hui-Min,Meng, Pan,Song, Dong-Xia,Qi, Zhikai,Zhang, Xian-Ming. "Fe2Mn(μ3-O)(COO)6 Cluster Based Stable MOF for Oxidative Coupling of Amines via Heterometallic Synergy". . p. 2983 - 2989. Retrieved 2021/08/30.
• 4、 Deng, Wei,Fan, Xiao-Nan,Ou, Hui-Dan,Yao, Zi-Jian. "Air-Stable Half-Sandwich Iridium Complexes as Aerobic Oxidation Catalysts for Imine Synthesis". supporting information. . Retrieved 2020/04/02.