2,2-Dimethyl-3-(methylamino)propan-1-ol

Base Information

• Chemical Name: 2,2-Dimethyl-3-(methylamino)propan-1-ol
• CAS No.: 16047-86-2
• Molecular Formula: C6H15 N O
• Molecular Weight: 117.19
• Hs Code.: 2922199090
• European Community (EC) Number: 804-810-2
• ChEMBL ID: CHEMBL4515043
• DSSTox Substance ID: DTXSID10560100
• Nikkaji Number: J2.696.850J
• Mol file: 16047-86-2.mol

Synonyms:2,2-dimethyl-3-(methylamino)propan-1-ol;16047-86-2;1-Propanol, 2,2-dimethyl-3-(methylamino)-;2,2-dimethyl-3-(methylamino)-1-propanol;SCHEMBL2319153;CHEMBL4515043;DTXSID10560100;MFCD09864429;AKOS005172367;SB84251;LS-03433;CS-0447676;EN300-216113;2,2-Dimethyl-3-(methylamino)propan-1-ol, AldrichCPR;Z1198235262

Chemical Property of 2,2-Dimethyl-3-(methylamino)propan-1-ol

Chemical Property:

• Vapor Pressure: 0.296mmHg at 25°C
• Refractive Index: 1.435
• Boiling Point: 178.481°C at 760 mmHg
• Flash Point: 60.011°C
• PSA: 32.26000
• Density: 0.875g/cm³
• LogP: 0.61520
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 117.115364102
• Heavy Atom Count: 8
• Complexity: 61.5

Purity/Quality:

97% ^*data from raw suppliers

2,?2-?Dimethyl-?3-?(methylamino)?propan-?1-?ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CNC)CO
• Uses: 2,?2-?Dimethyl-?3-?(methylamino)?propan-?1-?ol is a chemical reagent used in the preparation of azetidines.

Technology Process of 2,2-Dimethyl-3-(methylamino)propan-1-ol

There total 10 articles about 2,2-Dimethyl-3-(methylamino)propan-1-ol 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: 57.0%

2,2,N-Trimethyl-malonamic acid ethyl ester (167895-93-4) → 2,2-dimethyl-3-(methylamino)propan-1-ol (16047-86-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 96h; Heating;

DOI:10.1021/jo00120a020

Reference yield: 36.0%

tert-butyl (3-hydroxy-2,2-dimethylpropyl)carbamate (184357-44-6) → 2,2-dimethyl-3-(methylamino)propan-1-ol (16047-86-2)

Guidance literature:

tert-butyl (3-hydroxy-2,2-dimethylpropyl)carbamate; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 22h; Reflux;

With water; sodium hydroxide; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 6h;

Reference yield: 30.0%

3-(methylamino)-2,2-dimethylpropanal (41348-52-1) → 2,2-dimethyl-3-(methylamino)propan-1-ol (16047-86-2)

Guidance literature:

With sodium tetrahydroborate; In diethyl ether;

DOI:10.1002/oms.1210171106

upstream raw materials:

3-(methylamino)-2,2-dimethylpropanal

2,2-dimethyl-3-hydroxypropionaldehyde

methylamine

2,2,N-Trimethyl-malonamic acid ethyl ester

Downstream raw materials:

3,5,5-trimethyl-2-phenoxy-[1,3,2]oxazaphosphinane 2-sulfide

(3-hydroxy-2,2-dimethyl-propyl)-methyl-carbamic acid ethyl ester