Diisoamylamine

Base Information

• Chemical Name: Diisoamylamine
• CAS No.: 544-00-3
• Deprecated CAS: 855185-04-5
• Molecular Formula: C10H23 N
• Molecular Weight: 157.299
• Hs Code.: 2921199090
• European Community (EC) Number: 208-856-9
• NSC Number: 6261
• UNII: 71L34G463T
• DSSTox Substance ID: DTXSID1060263
• Nikkaji Number: J6.408D
• Wikidata: Q26841185
• Mol file: 544-00-3.mol

Synonyms:DIISOAMYLAMINE;Diisopentylamine;544-00-3;1-Butanamine, 3-methyl-N-(3-methylbutyl)-;bis(3-methylbutyl)amine;isodiamylamine;3-methyl-N-(3-methylbutyl)butan-1-amine;Di(3-Methylbutyl)amine;UNII-71L34G463T;NSC 6261;NSC-6261;EINECS 208-856-9;71L34G463T;3-Methyl-N-(3-methylbutyl)-1-butanamine;AI3-35092;diisoamylamin;diisopentyl-amine;di-iso-amylamine;di-Isopentylamine;Di-iso-pentylamine = Di-iso-amylamine;DIISOAMYLAMINE [MI];SCHEMBL40975;DTXSID1060263;SPVVMXMTSODFPU-UHFFFAOYSA-;NSC6261;STR02207;N,N-BIS(3-METHYLBUTYL)AMINE;GEO-01115;MFCD00015053;AKOS000119865;N-Isopentyl-3-methyl-1-butanamine #;D0613;FT-0624989;EN300-18951;D89688;N-Isopentyl-3-methyl-1-butanamine, AldrichCPR;Q26841185;Z102766508

Chemical Property of Diisoamylamine

Chemical Property:

• Vapor Pressure: 0.613mmHg at 25°C
• Melting Point: -44°C
• Refractive Index: 1.4230
• Boiling Point: 187-188°C
• PKA: 11.10±0.19(Predicted)
• Flash Point: 46.6°C
• PSA: 12.03000
• Density: 0.774g/cm³
• LogP: 3.05910
• Water Solubility.: Soluble in ethanol, ethyl ether and chloroform. Slightly soluble in water.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 157.183049738
• Heavy Atom Count: 11
• Complexity: 66.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diisoamylamine >97.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCNCCC(C)C
• Uses: Intermediate for organic synthesis

Technology Process of Diisoamylamine

There total 32 articles about Diisoamylamine 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: 81.0%

1-amino-3-methylbutane (107-85-7) → 3-methyl-N-(3-methylbutyl)-1-butanamine (544-00-3)

Guidance literature:

With Co₂Rh₂/C; In toluene; at 180 ℃; for 18h; under 760.051 Torr; Autoclave; Inert atmosphere;

DOI:10.1002/adsc.201701522

Reference yield: 37.0%

isovaleraldehyde (590-86-3) → i-Amyl alcohol (123-51-3) + 3-methyl-N-(3-methylbutyl)-1-butanamine (544-00-3) + triisoamylamine (645-41-0)

Guidance literature:

With ammonia; hydrogen; In ethanol; at 50 ℃; for 2.5h; under 26252.6 Torr;

Reference yield:

Isovaleronitrile (625-28-5) → 3-methyl-N-(3-methylbutyl)-1-butanamine (544-00-3)

Guidance literature:

Hydrogenation;

DOI:10.1002/hlca.192400701129

upstream raw materials:

i-Amyl alcohol

1-chloro-3-methylbutane

Isovaleronitrile

diisopentyl-carbamonitrile

Downstream raw materials:

N,N-diisopentyl-N'-phenyl-thiourea

triisoamylamine

N,N-Diisopentylglycinethylester

Isovaleronitrile

Refernces

• 1、 Yamada, Tsuyoshi,Park, Kwihwan,Furugen, Chikara,Jiang, Jing,Shimizu, Eisho,Ito, Naoya,Sajiki, Hironao. "Highly Selective Hydrogenative Conversion of Nitriles into Tertiary, Secondary, and Primary Amines under Flow Reaction Conditions". . . Retrieved 2021/12/13.
• 2、 Monguchi, Yasunari,Mizuno, Masahiro,Ichikawa, Tomohiro,Fujita, Yuki,Murakami, Eri,Hattori, Tomohiro,Maegawa, Tomohiro,Sawama, Yoshinari,Sajiki, Hironao. "Catalyst-Dependent Selective Hydrogenation of Nitriles: Selective Synthesis of Tertiary and Secondary Amines". . p. 10939 - 10944. Retrieved 2017/10/27.