1,2-Propanediol, 1-phosphate

Base Information

• Chemical Name: 1,2-Propanediol, 1-phosphate
• CAS No.: 10602-14-9
• Molecular Formula: C3H9 O5 P
• Molecular Weight: 156.075
• UNII: 48G71659RB
• DSSTox Substance ID: DTXSID90909871
• Nikkaji Number: J1.270.503D
• Wikidata: Q27102772
• Metabolomics Workbench ID: 51128
• Mol file: 10602-14-9.mol

Synonyms:Propanediol 1-phosphate;1,2-Propanediol, 1-phosphate;DL-1-Deoxyglycerol 3-phosphate;2-hydroxypropyl dihydrogen phosphate;UNII-48G71659RB;1,2-Propanediol, 1-(dihydrogen phosphate);10602-14-9;48G71659RB;Propane-1,2-diol 1-phosphate;1,2-propanediol 1-phosphate;C03894;1,2-Propandiol-1-phosphat;SCHEMBL1079057;CHEBI:18025;DTXSID90909871;Q27102772

Chemical Property of 1,2-Propanediol, 1-phosphate

Chemical Property:

• Vapor Pressure: 3.19E-06mmHg at 25°C
• Boiling Point: 348°Cat760mmHg
• Flash Point: 164.2°C
• PSA: 96.80000
• Density: 1.538g/cm³
• LogP: -0.52350
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 156.01876038
• Heavy Atom Count: 9
• Complexity: 117

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COP(=O)(O)O)O

Technology Process of 1,2-Propanediol, 1-phosphate

There total 11 articles about 1,2-Propanediol, 1-phosphate 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:

2-hydroxypropyl-p-nitrophenyl phosphate (4281-46-3) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + β-hydroxypropyl phosphate (10602-14-9)

Guidance literature:

With N,N'-bis(N-benzoylglycylglycine)-1,2-ethanediamine*Cu(II); N-ethylmorpholine buffer; In methanol; at 30 ℃; pH=7.5; Further Variations:; Reagents; Kinetics;

DOI:10.1016/S0960-894X(02)01068-5

Reference yield:

propylene glycol (57-55-6,63625-56-9) → β-hydroxypropyl phosphate (10602-14-9)

Guidance literature:

With disodium pyrophoshate; acid phosphatase from Shigella flexneri (class A₁ enzyme); In acetate buffer; at 30 ℃; pH=5.3;

DOI:10.1002/adsc.200505072

Reference yield:

propylene glycol (57-55-6,63625-56-9) → β-hydroxypropyl phosphate (10602-14-9)

Guidance literature:

With hydrogenchloride; anschliessendes Behandeln mit Wasser und Silbercarbonat;

DOI:10.1021/ja01539a025

upstream raw materials:

1-iodopropan-2-ol

methyloxirane

hydrogenchloride

propylene hydrogen phosphate

Downstream raw materials:

2-hydroxypropyl acetate

phosphoric acid mono-(2-oxo-propyl) ester

Refernces

• 1、 Kugel,Halmann. "". . p. 3566,3567,3568,3569,3572. Retrieved 1966.
• 2、 Takebayashi, Shinji,Ikeda, Masato,Takeuchi, Masayuki,Shinkai, Seiji. "Metal ion induced allosteric transition in the catalytic activity of an artificial phosphodiesterase". . p. 420 - 421. Retrieved 2007/10/03.