1,2,2-Trimethylpropylamine

Base Information

• Chemical Name: 1,2,2-Trimethylpropylamine
• CAS No.: 3850-30-4
• Molecular Formula: C6H15N
• Molecular Weight: 101.192
• Hs Code.: 29211999
• European Community (EC) Number: 223-353-4
• DSSTox Substance ID: DTXSID30871043
• Nikkaji Number: J99.875C
• Mol file: 3850-30-4.mol

Synonyms:3850-30-4;2-Amino-3,3-dimethylbutane;3,3-dimethylbutan-2-amine;1,2,2-Trimethylpropylamine;3,3-Dimethyl-2-aminobutane;2-Butanamine, 3,3-dimethyl-;3,3-Dimethyl-2-butanamine;3-Amino-2,2-dimethylbutane;Propylamine, 1,2,2-trimethyl-;3,3-Dimethyl-2-butyl amine;(+/-)-3,3-DIMETHYL-2-BUTYLAMINE;3,3-Dimethyl-2-butylamine;3,3-Dimethylbut-2-ylamine;pinacolylamine;1,2,2-Trimethylpropanamine;1 ,2,2-trimethylpropylamine;SCHEMBL271371;2-amino-3,3-dimethyl butane;2-amino-3,3-dimethyl-butane;1, 2, 2-trimethylpropyl amine;DTXSID30871043;BBL037557;MFCD00008078;STK502430;(+/-) 3,3-dimethyl-2-aminobutane;AKOS002434443;AKOS016037497;SB13419;2-Amino-3,3-dimethylbutane, AldrichCPR;AS-39375;A0656;BB 0216503;CS-0007905;FT-0605138;FT-0605309;FT-0611028;EN300-75513

Chemical Property of 1,2,2-Trimethylpropylamine

Chemical Property:

• Appearance/Colour: Clear colorless to very slightly yellow liquid
• Vapor Pressure: 38.4mmHg at 25°C
• Melting Point: -20 °C
• Refractive Index: 1.413-1.415
• Boiling Point: 99.3 °C at 760 mmHg
• PKA: 10.86±0.13(Predicted)
• Flash Point: 1.1 °C
• PSA: 26.02000
• Density: 0.768 g/cm³
• LogP: 2.08000
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Water Solubility.: Fully miscible in water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 101.120449483
• Heavy Atom Count: 7
• Complexity: 51.7

Purity/Quality:

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

3,3-Dimethyl-2-butylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,F,Xi
• Hazard Codes: C-F,Xi,Xn
• Statements: 34-20/21/22-11-22
• Safety Statements: 45-36/37/39-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C)(C)C)N
• Uses: (+/-)-3,3-Dimethyl-2-butylamine is used to produce 1-pyridin-3-yl-3-(1,2,2-trimethyl-propyl)-thiourea. It is also used as pharmaceutical intermediates.

Technology Process of 1,2,2-Trimethylpropylamine

There total 40 articles about 1,2,2-Trimethylpropylamine 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: 73.0%

N-(1-phenylethyl)acetamide (23602-17-7) + ethylene glycol (107-21-1) → 2,2-dimethyl-1-methylpropylamine (3850-30-4) + 2-hydroxyethyl acetate (542-59-6)

Guidance literature:

N-(1-phenylethyl)acetamide; With triphenyl phosphite; chlorine; triethylamine; In dichloromethane; at -30 ℃;

ethylene glycol; In dichloromethane; at -30 - 20 ℃;

With water;

DOI:10.1021/ol048852h

Reference yield: 64.0%

pinacolone oxime (10341-64-7,20259-50-1,2475-93-6) → 2,2-dimethyl-1-methylpropylamine (3850-30-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 30h; Heating;

DOI:10.1002/jhet.5570370206

Reference yield:

((S)-2-Methoxymethyl-pyrrolidin-1-yl)-(1,2,2-trimethyl-propyl)-amine → (2S)-2-(methoxymethyl)-1-pyrrolidine (63126-47-6) + (S)-1,2,2-trimethylpropylamine (3850-30-4,22526-47-2,59367-75-8,66228-31-7) + (R)-1,2,2-trimethylpropylamine (3850-30-4,22526-47-2,59367-75-8,66228-31-7)

Guidance literature:

With hydrogen; 2-nitro-benzaldehyde; Ra-Ni; Yield given. Multistep reaction. Yields of byproduct given; 1) MeOH, 24 h, 20 deg C to 40 deg C, 3.5 to 3.8 bar, 2) ether, 12 h, r. t.;

upstream raw materials:

3,3-dimethyl-butan-2-one

ammonium formate

pinacolone oxime

N-(1-phenylethyl)acetamide

Downstream raw materials:

(3,4-Dimethyl-2,6-dinitro-phenyl)-(1,2,2-trimethyl-propyl)-amine

1-(2,6-Di-sec-butyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea

1-(2,6-Diethyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea

1-(2,6-Diethyl-3-methyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea

Refernces

• 1、 Franklin, Robert D.,Mount, Conner J.,Bommarius, Bettina R.,Bommarius, Andreas S.. "Separate Sets of Mutations Enhance Activity and Substrate Scope of Amine Dehydrogenase". . p. 2436 - 2439. Retrieved 2020/04/16.
• 2、 -. "(R)- SELECTIVE AMINATION". Paragraph 0120; 0121; 0122. . Retrieved 2016/03/22.