3,3-Dimethylbutylamine

Base Information

• Chemical Name: 3,3-Dimethylbutylamine
• CAS No.: 15673-00-4
• Deprecated CAS: 59367-75-8
• Molecular Formula: C6H15 N
• Molecular Weight: 101.192
• Hs Code.: 29211990
• European Community (EC) Number: 239-749-5
• UNII: 4PBD4W6TDT
• DSSTox Substance ID: DTXSID8075091
• Nikkaji Number: J236.486G
• Wikidata: Q27452975
• Mol file: 15673-00-4.mol

Synonyms:3,3-Dimethylbutylamine;15673-00-4;3,3-dimethylbutan-1-amine;1-Butanamine, 3,3-dimethyl-;3,3-Dimethyl butylamine;EINECS 239-749-5;4PBD4W6TDT;3,3-dimethyl-butylamine;3,3-dimethylbutyamine;3,3 dimethylbutylamine;3,3-dimethylbutyl amine;UNII-4PBD4W6TDT;(3,3-dimethylbutyl)amine;SCHEMBL9707;1.2.2-Trimethylpropylamine;3,3-Dimethyl-1-butanamine;3,3-DIMETHYLBUTANAMINE;3,3-Dimethyl-1-butanamine #;3,3-Dimethylbutylamine, 97%;DTXSID8075091;STR06352;MFCD00008201;AKOS000169168;2-CARBOXYTHIOPHENE-4-BORONICACID98;FT-0637259;EN300-37224;F17089;J-511079;Q27452975

Chemical Property of 3,3-Dimethylbutylamine

Chemical Property:

• Vapor Pressure: 23.5mmHg at 25°C
• Melting Point: -40.7°C (estimate)
• Refractive Index: n20/D 1.4135(lit.)
• Boiling Point: 110.7°Cat760mmHg
• PKA: 10.75±0.19(Predicted)
• Flash Point: 5.6°C
• PSA: 26.02000
• Density: 0.77g/cm³
• LogP: 2.08160
• Storage Temp.: Flammables area
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 101.120449483
• Heavy Atom Count: 7
• Complexity: 42.6

Purity/Quality:

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

3,3-Dimethylbutylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,C
• Statements: 11-34
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CCN

Technology Process of 3,3-Dimethylbutylamine

There total 8 articles about 3,3-Dimethylbutylamine 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: 61.0%

(3,3-Dimethyl-butyl)-dimethyl-borane → 3,3-dimethylbutylamine (15673-00-4)

Guidance literature:

With ammonium hydroxide; sodium hypochlorite; In water; 1.) 0 deg C, 5-10 min, 2.) 0 deg C -> room temperature;

Reference yield: 51.0%

3,3-dimethylbutanamide (926-04-5) → 3,3-dimethylbutylamine (15673-00-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 50 - 55 ℃; for 17h;

DOI:10.1002/1099-0690(200212)2002:23<4054::AID-EJOC4054>3.0.CO;2-H

Reference yield:

3,3-dimethylbutyl bromide (1647-23-0) → 3,3-dimethylbutylamine (15673-00-4)

Guidance literature:

With ammonia; at 106 - 120 ℃; under 51485.6 - 66195.7 Torr;

upstream raw materials:

3,3-dimethylbutyl bromide

3,3-dimethylbutanamide

2-(3,3-dimethylbutyl)isoindoline-1,3-dione

3,3-dimethylbutanoic acid chloride

Downstream raw materials:

2,3-dimethylbutan-2-ol

3,3-dimethylbutanol

3-[(3,3-dimethylbutyl)amino]-4-nitrobenzonitrile

methyl-phenyl-carbamic acid 4-(3,3-dimethyl-butylcarbamoyl)-phenyl ester