3-(N-Benzyl-N-methylamino)-1,2-propanediol

Base Information

• Chemical Name: 3-(N-Benzyl-N-methylamino)-1,2-propanediol
• CAS No.: 60278-98-0
• Molecular Formula: C11H17 N O2
• Molecular Weight: 195.261
• Hs Code.: 2922199090
• European Community (EC) Number: 262-144-2
• DSSTox Substance ID: DTXSID30975691
• Nikkaji Number: J298.817H
• Mol file: 60278-98-0.mol

Synonyms:60278-98-0;3-(N-Benzyl-N-methylamino)-1,2-propanediol;3-(Benzyl(methyl)amino)propane-1,2-diol;3-[benzyl(methyl)amino]propane-1,2-diol;EINECS 262-144-2;3-(N-Benzyl-N-methylamino)propane-1,2-diol;SCHEMBL721952;DTXSID30975691;AKOS017262085;3-(Benzylmethylamino)-1,2-propanediol;BS-52056;3-[Benzyl(methyl)amino]-1,2-propanediol #;CS-0162910;FT-0729422;E77175;1,2-Propanediol, 3-[methyl(phenylmethyl)amino]-;3-(N-benzyl-N-Methylamino)-1,2-propanediol, AldrichCPR

Chemical Property of 3-(N-Benzyl-N-methylamino)-1,2-propanediol

Chemical Property:

• Vapor Pressure: 0.000161mmHg at 25°C
• Refractive Index: 1.5335-1.5355
• Boiling Point: 206-206 °C (30 mmHg)
• PKA: 14.01±0.20(Predicted)
• Flash Point: 171.8°C
• PSA: 43.70000
• Density: 1.08
• LogP: 0.47160
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 195.125928785
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

98%Min ^*data from raw suppliers

3-[Benzyl(methyl)amino]propane-1,2-diol ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC1=CC=CC=C1)CC(CO)O

Technology Process of 3-(N-Benzyl-N-methylamino)-1,2-propanediol

There total 3 articles about 3-(N-Benzyl-N-methylamino)-1,2-propanediol 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%

benzyl-methyl-amine (103-67-3) + Glyceraldehyde (56-82-6,367-47-5,26793-98-6) → 3-(N-Benzyl-N-methylamino)-1,2-propanediol (60278-98-0)

Guidance literature:

With sodium tris(acetoxy)borohydride; acetic acid; In tetrahydrofuran; at 20 ℃; for 5h;

Reference yield:

oxiranyl-methanol (556-52-5) + benzyl-methyl-amine (103-67-3) → 3-(N-Benzyl-N-methylamino)-1,2-propanediol (60278-98-0)

Guidance literature:

at 25 ℃;

DOI:10.1021/jm00374a013

Reference yield:

4-{4-[(benzyl-methyl-amino)-methyl]-[1,3]dioxolan-2-yl}-6-bromo-7-hydroxy-chromen-2-one (425431-08-9) → 3-(N-Benzyl-N-methylamino)-1,2-propanediol (60278-98-0)

Guidance literature:

With potassium chloride; sodium chloride; N-2-hydroxyethylpiperazine-N'-2-ethanesulfonic acid; calcium chloride; In methanol; water; pH=7.4; Further Variations:; time dependence; Quantum yield; Irradiation;

DOI:10.1021/jo0163851

upstream raw materials:

oxiranyl-methanol

benzyl-methyl-amine

4-{4-[(benzyl-methyl-amino)-methyl]-[1,3]dioxolan-2-yl}-6-bromo-7-hydroxy-chromen-2-one

Glyceraldehyde

Downstream raw materials:

3-methylamino-propane-1,2-diol

4-{4-[(benzyl-methyl-amino)-methyl]-[1,3]dioxolan-2-yl}-6-bromo-7-hydroxy-chromen-2-one

Benzoic acid 3-(benzyl-methyl-amino)-2-hydroxy-propyl ester

Benzoic acid 2-(benzyl-methyl-amino)-1-hydroxymethyl-ethyl ester

Refernces

• 1、 Lin, Weiying,Lawrence, David S.. "A strategy for the construction of caged diols using a photolabile protecting group". . p. 2723 - 2726. Retrieved 2007/10/03.
• 2、 Kam, Sheung-Tsam,Matier, William L.,Mai, Khuong X.,Barcelon-Yang, Cynthia,Borgman, Robert J.,et al.. "propanolamines. 1. Novel β-Blockers with Ultrashort Duration of Action". . p. 1007 - 1016. Retrieved 2007/10/02.