1,2-Dimethylpropylamine

Base Information

• Chemical Name: 1,2-Dimethylpropylamine
• CAS No.: 598-74-3
• Deprecated CAS: 110509-11-0
• Molecular Formula: C5H13 N
• Molecular Weight: 87.1649
• Hs Code.: 2921199990
• European Community (EC) Number: 209-949-7
• UNII: 1P7J19TM9E
• DSSTox Substance ID: DTXSID4022074
• Nikkaji Number: J71.080F
• Wikidata: Q27252708
• Mol file: 598-74-3.mol

Synonyms:1,2-Dimethylpropylamine;598-74-3;3-methylbutan-2-amine;2-Butanamine, 3-methyl-;3-Methyl-2-butanamine;2-Amino-3-methylbutane;1,2-Dimethylpropanamine;iso-Amylamine;3-Methyl-2-butylamine;PROPYLAMINE, 1,2-DIMETHYL-;1,2-dimethyl-propylamine;BRN 0635656;(+/-)-3-methyl-2-butylamine;3-Methyl-2-aminobutane;EINECS 209-949-7;UNII-1P7J19TM9E;1P7J19TM9E;2-04-00-00644 (Beilstein Handbook Reference);1,2 Dimethylpropylamine;1,2-dimethylpropyl amine;1,2-dimethyl propyl amine;rac-3-methylbutan-2-amine;(+)-1,2-dimethylpropylamine;DTXSID4022074;JOZZAIIGWFLONA-UHFFFAOYSA-;(+/-)-1,2-dimethylpropylamine;1,2-Dimethylpropylamine, >=98%;AMY14243;BCA04372;STR03552;MFCD00008081;AKOS000264488;AKOS017278472;SB13415;SB75365;(+/-)-3-METHYL-2-BUTANAMINE;(^+)-2-Amino-3-methylbutane, 98+%;BP-10274;J71.080F;LS-125638;FT-0605156;FT-0605330;FT-0616062;EN300-20873;Q27252708

Chemical Property of 1,2-Dimethylpropylamine

Chemical Property:

• Appearance/Colour: colorless to yellow liquid
• Vapor Pressure: 69.2mmHg at 25°C
• Melting Point: -50 ºC
• Refractive Index: n20/D 1.4055(lit.)
• Boiling Point: 84-87 ºC
• PKA: 10.80±0.10(Predicted)
• Flash Point: -18 ºF
• PSA: 26.02000
• Density: 0.757
• LogP: 1.68990
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 87.104799419
• Heavy Atom Count: 6
• Complexity: 32.9

Purity/Quality:

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

1,2-Dimethylpropylamine ≥98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,C
• Statements: 11-21/22-34
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(C)N
• Uses: 1,2-Dimethylpropylamine was used as standard in separation of alkali and alkaline earth metal cations by capillary electrochromatography on monolithic octadecylsilica columns.

Technology Process of 1,2-Dimethylpropylamine

There total 45 articles about 1,2-Dimethylpropylamine 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: 50.0%

L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) → diisobutylamine (110-96-3) + isobutylamine (78-81-9) + 2-amino-3-methylbutane (598-74-3)

Guidance literature:

L-valine; With cyclopentyl methyl ether; ammonia; at 200 ℃; under 4500.45 Torr; Sealed tube; Green chemistry;

With cyclopentyl methyl ether; ammonia; hydrogen; at 200 ℃; for 6.5h; under 42004.2 Torr; Cooling with ice; Green chemistry;

DOI:10.1039/d0gc01441a

Reference yield:

3-methyl-butan-2-one (563-80-4) + benzylamine (100-46-9) → benzaldehyde (100-52-7) + 2-amino-3-methylbutane (598-74-3)

Guidance literature:

With S-selective ω-transaminase from paracoccus denitrificans transaminase; NAD; aldehyde dehydrogenase; In dimethyl sulfoxide; Reagent/catalyst; Enzymatic reaction;

DOI:10.1002/cctc.201900399

Reference yield:

3-methyl-butan-2-one (563-80-4) → 2-amino-3-methylbutane (598-74-3)

Guidance literature:

With platinum(IV) oxide; ammonia; ammonium chloride; under 735.5 - 2206.5 Torr; Hydrogenation;

upstream raw materials:

3-methyl-butan-2-one

bis-(1,2-dimethyl-propylidene)-hydrazine

3-methyl-butan-2-one oxime

3-chloro-3-methyl-2-butanone oxime

Downstream raw materials:

(2R)-3-methyl-2-butylamine

(R)-N-1-(i-propyl)ethyltosylamide

3-methyl-2-butanol

(R)-N-((R)-1,2-Dimethyl-propyl)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionamide

Refernces

• 1、 Ernst, Martin,Ghosh, Tamal,Hashmi, A. Stephen K.,Schaub, Thomas. "Ruthenium Catalyzed Direct Asymmetric Reductive Amination of Simple Aliphatic Ketones Using Ammonium Iodide and Hydrogen". supporting information. . Retrieved 2020/07/14.
• 2、 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.