Isoamylamine

Base Information

• Chemical Name: Isoamylamine
• CAS No.: 107-85-7
• Molecular Formula: C5H13N
• Molecular Weight: 87.1649
• Hs Code.: 29211999
• European Community (EC) Number: 203-526-0
• NSC Number: 7907
• UNII: LPO0L33SHY
• DSSTox Substance ID: DTXSID7059355
• Nikkaji Number: J95.661I
• Wikidata: Q2835874
• Metabolomics Workbench ID: 45022
• ChEMBL ID: CHEMBL42003
• Mol file: 107-85-7.mol

Synonyms:3-methylbutylamine;isoamylamine;isoamylamine carbonate (1:1);isoamylamine hydrochloride

Chemical Property of Isoamylamine

Chemical Property:

• Appearance/Colour: Clear liquid
• Vapor Pressure: 51.1mmHg at 25°C
• Melting Point: -60 °C
• Refractive Index: 1.4065 - 1.4090
• Boiling Point: 92.7 °C at 760 mmHg
• PKA: 10.6(at 25℃)
• Flash Point: 18.3 °C
• PSA: 26.02000
• Density: 0.757 g/cm³
• LogP: 1.69150
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Water Solubility.: Completely miscible in water
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 87.104799419
• Heavy Atom Count: 6
• Complexity: 25.1

Purity/Quality:

99.9% ^*data from raw suppliers

Isoamylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): FC
• Hazard Codes: F,C
• Statements: 11-22-34-20/22
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CCN
• Recent ClinicalTrials: Study Evaluating the Safety and Efficacy of Islatravir in Combination With Lenacapavir in Virologically Suppressed People With HIV
• Recent EU Clinical Trials: Feasibility and efficacy of Lenalidomide maintenance after salvage immuno-chemotherapy induction in relapsed or refractory mantle cell lymphoma - a phase II study of the European MCL Network
• Description: Isopentylamine has an unpleasant ammoniacal odor. May be synthesized from isoamyl chloride and sodamide in liquid ammonia; by reduction of isoamyl nitrile.
• Uses: Isoamylamine is used in organic syntheses.

Technology Process of Isoamylamine

There total 76 articles about Isoamylamine 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%

Isovaleronitrile (625-28-5) → 1-amino-3-methylbutane (107-85-7)

Guidance literature:

With [Ru(H)(BH₄)(CO)(PPh₃)(3-(di-tert-butylphosphino)-N-((1-methyl-1H-imidazol-2 yl)methyl)propylamine)]; hydrogen; In isopropyl alcohol; at 70 ℃; for 3h; Inert atmosphere; Autoclave;

DOI:10.1002/chem.201504709

Reference yield: 86.0%

isovaleraldehyde (590-86-3) → 1-amino-3-methylbutane (107-85-7)

Guidance literature:

With ammonia; hydrogen; In tert-butyl alcohol; at 120 ℃; for 15h;

DOI:10.1126/science.aan6245

Reference yield:

N-isopentyl-formamide (10285-87-7) → 1-amino-3-methylbutane (107-85-7) + isocapronitrile (542-54-1)

Guidance literature:

at 400 - 410 ℃;

upstream raw materials:

O-Methylhydroxylamin

(3-methylbutyl)magnesium bromide

isoamylmagnesium chloride

i-Amyl alcohol

Downstream raw materials:

2-[(3-methylbutyl)amino]ethanol

benzonitrile

triisoamylamine

Isovaleronitrile

Refernces

• 1、 Kabalka, George W.,Henderson, David A.,Varma, Rajender S.. "Reaction of organoboranes with hydrazoic acid". . p. 1369 - 1370. Retrieved 1987.
• 2、 Seigle,Hass. "-". . p. 648. Retrieved 1939.
• 3、 Cui, Zhibing,Liu, Jianguo,Liu, Qiying,Ma, Longlong,Singh, Thishana,Wang, Chenguang,Wang, Nan,Zhu, Yuting. "Facile synthesis of controllable graphene-co-shelled reusable Ni/NiO nanoparticles and their application in the synthesis of amines under mild conditions". supporting information. p. 7387 - 7397. Retrieved 2020/11/19.
• 4、 Claes, Laurens,Janssen, Michiel,De Vos, Dirk E.. "Organocatalytic Decarboxylation of Amino Acids as a Route to Bio-based Amines and Amides". . p. 4297 - 4306. Retrieved 2019/08/26.