(6-Phenoxypyridin-3-yl)methanol

Base Information

• Chemical Name: (6-Phenoxypyridin-3-yl)methanol
• CAS No.: 101990-68-5
• Molecular Formula: C12H11NO2
• Molecular Weight: 201.22
• Hs Code.: 2933399090
• European Community (EC) Number: 874-205-6
• DSSTox Substance ID: DTXSID20380134
• Wikidata: Q82170208
• Mol file: 101990-68-5.mol

Synonyms:(6-phenoxypyridin-3-yl)methanol;101990-68-5;(6-Phenoxy-3-pyridinyl)methanol;(6-Phenoxy-3-pyridyl)methanol;SCHEMBL510046;DTXSID20380134;ZAKRVFYNLKKPOF-UHFFFAOYSA-N;(6-Phenoxy-pyridin-3-yl)-methanol;BBL102381;MFCD02682069;STL556183;AKOS005363195;SDCCGMLS-0066019.P001;(6-phenoxy-3-pyridinyl)methanol, AldrichCPR;CS-0195529;FT-0604841;EN300-160232;W-204438;A7Q

Chemical Property of (6-Phenoxypyridin-3-yl)methanol

Chemical Property:

• Vapor Pressure: 6.69E-06mmHg at 25°C
• Refractive Index: 1.601
• Boiling Point: 362.9 °C at 760 mmHg
• Flash Point: 173.3 °C
• PSA: 42.35000
• Density: 1.204g/cm³
• LogP: 2.36620
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

98%Min ^*data from raw suppliers

(6-Phenoxypyridin-3-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=NC=C(C=C2)CO

Technology Process of (6-Phenoxypyridin-3-yl)methanol

There total 3 articles about (6-Phenoxypyridin-3-yl)methanol 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:

6-phenoxynicotinic acid methyl ester (595576-44-6) → (6-phenoxy-pyridin-3-yl)-methanol (101990-68-5)

Guidance literature:

6-phenoxynicotinic acid methyl ester; In diethyl ether; toluene; at 0 - 20 ℃; for 4h;

With sodium hydroxide; In diethyl ether; toluene; at 0 - 35 ℃; for 2h;

DOI:10.1021/acs.jafc.6b05580

Reference yield:

6-Chloronicotinic acid methyl ester (73781-91-6) → (6-phenoxy-pyridin-3-yl)-methanol (101990-68-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 4 h / 20 °C

1.2: 10 h / 100 °C

2.1: Red-Al / diethyl ether; toluene / 4 h / 0 - 20 °C

2.2: 2 h / 0 - 35 °C

With sodium hydride; In diethyl ether; N,N-dimethyl-formamide; toluene;

DOI:10.1021/acs.jafc.6b05580

Reference yield:

phenol (108-95-2,27073-41-2) → (6-phenoxy-pyridin-3-yl)-methanol (101990-68-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 4 h / 20 °C

1.2: 10 h / 100 °C

2.1: Red-Al / diethyl ether; toluene / 4 h / 0 - 20 °C

2.2: 2 h / 0 - 35 °C

With sodium hydride; In diethyl ether; N,N-dimethyl-formamide; toluene;

DOI:10.1021/acs.jafc.6b05580

upstream raw materials:

6-Chloronicotinic acid methyl ester

phenol

6-phenoxynicotinic acid methyl ester

Downstream raw materials:

C₁₃H₁₄N₂O

2-phenoxy-5-pyridylmethyl chloride

piperidine-1-carboxylic acid 6-phenoxy-pyridin-3-ylmethyl ester trifluoroacetate

Refernces