Propranolol glycol

Base Information

• Chemical Name: Propranolol glycol
• CAS No.: 36112-95-5
• Molecular Formula: C13H14O3
• Molecular Weight: 218.252
• Hs Code.: 2909499000
• European Community (EC) Number: 641-582-1
• UNII: FU45BO16RF
• DSSTox Substance ID: DTXSID10865804
• Nikkaji Number: J47.261A
• Wikidata: Q27278206
• ChEMBL ID: CHEMBL528080
• Mol file: 36112-95-5.mol

Synonyms:3-(alpha-naphthoxy)-1,2-propanediol;propranolol glycol

Chemical Property of Propranolol glycol

Chemical Property:

• Vapor Pressure: 1.95E-08mmHg at 25°C
• Melting Point: 99-100℃
• Boiling Point: 437.7°C at 760 mmHg
• PKA: 13.48±0.20(Predicted)
• Flash Point: 218.5°C
• PSA: 49.69000
• Density: 1.24g/cm³
• LogP: 1.57180
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 218.094294304
• Heavy Atom Count: 16
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

3-(1-Naphthalenyloxy)-1,2-propanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 2107930
• Hazard Codes: Xn
• Statements: 21
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2OCC(CO)O
• Uses: 3-(1-Naphthalenyloxy)-1,2-propanediol is an impurity of Propranolol (P831800), an β?Adrenergic blocker used as a antihypertensive and antilanginal agent.

Technology Process of Propranolol glycol

There total 17 articles about Propranolol glycol 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: 91.0%

α-naphthol (90-15-3) + oxiranyl-methanol (556-52-5) → 3-(1-naphthyloxy)propane-1,2-diol (36112-95-5)

Guidance literature:

With triethylamine; In ethanol; Heating;

DOI:10.1023/A:1015561532507

Reference yield: 90.0%

allyl naphthyl ether (20009-25-0) → 3-(1-naphthyloxy)propane-1,2-diol (36112-95-5)

Guidance literature:

With AD-mix-β; In water; tert-butyl alcohol; at 0 ℃;

DOI:10.1016/S0040-4039(00)77590-3

Reference yield: 83.0%

1-Benzyloxy-3-(naphthalen-1-yloxy)-propan-2-ol (150855-02-0) → 3-(1-naphthyloxy)propane-1,2-diol (36112-95-5)

Guidance literature:

With hydrogen; palladium on activated charcoal;

upstream raw materials:

α-naphthol

3-monochloro-1,2-propanediol

sodium acetate

glycerol

Downstream raw materials:

3-(1-naphthyloxy)-1,2-epoxypropane

(+/-)-1-O-1'-naphthyl-3-O-tritylglycerol

propranolol

1-(2-Methoxy-3-trityloxy-propoxy)-naphthalene