2-Allyl-6-chlorophenol

Base Information

• Chemical Name: 2-Allyl-6-chlorophenol
• CAS No.: 5348-07-2
• Molecular Formula: C9H9 Cl O
• Molecular Weight: 168.623
• NSC Number: 1540
• UNII: GS4ZR3J2MC
• DSSTox Substance ID: DTXSID10201662
• Nikkaji Number: J2.520.380A
• Wikidata: Q83074863
• Mol file: 5348-07-2.mol

Synonyms:2-Allyl-6-chlorophenol;5348-07-2;2-chloro-6-prop-2-enylphenol;Phenol, 2-allyl-6-chloro-;GS4ZR3J2MC;Phenol, 2-allyl-6-chloro-,;NSC-1540;Phenol, 2-chloro-6-[2-propenyl]-;2-chloro-6-(prop-2-en-1-yl)phenol;Phenol, 2-chloro-6-(2-propenyl)-;NSC1540;UNII-GS4ZR3J2MC;2-Allyl-6-chlorophenol #;SCHEMBL1908482;2-Chloro-6-(2-propenyl)phenol;DTXSID10201662;NSC 1540;MFCD00045747;2-Chloro-6-(2-propen-1-yl)phenol;AKOS005067752;Phenol, 2-chloro-6-(2-propen-1-yl)-;FT-0635638

Chemical Property of 2-Allyl-6-chlorophenol

Chemical Property:

• Vapor Pressure: 0.0467mmHg at 25°C
• Boiling Point: 229.2°Cat760mmHg
• Flash Point: 92.4°C
• PSA: 20.23000
• Density: 1.169g/cm³
• LogP: 2.77410
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 168.0341926
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

2-ALLYL-6-CHLOROPHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1=C(C(=CC=C1)Cl)O

Technology Process of 2-Allyl-6-chlorophenol

There total 9 articles about 2-Allyl-6-chlorophenol 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: 89.0%

allyl 2-chlorophenyl ether (20788-42-5) → 2-chloro-6-(prop-2-en-1-yl)phenol (5348-07-2)

Guidance literature:

at 200 ℃; for 6h;

Reference yield:

(2E)-3-phenyl-2-propen-1-ol (4407-36-7) → 2-chloro-6-(prop-2-en-1-yl)phenol (5348-07-2) + 2-(3-Chloro-2-propenyl)phenol (86694-60-2)

Guidance literature:

With SiO₂ coated on inner upconversion nanoparticle decorated with Ag⁰/AgCl hetero-dots outside; In water; Irradiation;

DOI:10.1002/anie.202007434

Reference yield:

2-monochlorophenol (95-57-8) → 2-chloro-6-(prop-2-en-1-yl)phenol (5348-07-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / K₂CO₃ / acetonitrile / 1 h / Heating

2: 69 percent / 1-butyl-2,3-(trimethylene)imidazolium bistriflylimide / 0.03 h / 250 °C / microwave irradiation

With potassium carbonate; In acetonitrile; 2: Claisen rearrangement;

DOI:10.1016/j.tet.2007.08.060

upstream raw materials:

allyl 2-chlorophenyl ether

2-monochlorophenol

2,6-Dichlorophenol

3,5-dichloro-4-hydroxybenzoic acid

Downstream raw materials:

1,4-bis-(3-allyl-5-chloro-4-hydroxy-benzyl)-piperazine

2-allyl-4-benzylaminomethyl-6-chloro-phenol

8-chloro-3-(phenylthio)chroman

2-chloro-6-<2-hydroxy-3-(phenylthio)propyl>phenol