1-Chloromethylpyrene

Base Information

• Chemical Name: 1-Chloromethylpyrene
• CAS No.: 1086-00-6
• Molecular Formula: C17H11 Cl
• Molecular Weight: 250.727
• Hs Code.: 2903999090
• European Community (EC) Number: 679-667-0
• NSC Number: 133487
• UNII: B7AEW53FE3
• DSSTox Substance ID: DTXSID00148597
• Nikkaji Number: J535.343B
• Wikidata: Q83014163
• Mol file: 1086-00-6.mol

Synonyms:1-chloromethylpyrene

Chemical Property of 1-Chloromethylpyrene

Chemical Property:

• Vapor Pressure: 2.47E-07mmHg at 25°C
• Boiling Point: 434.1°Cat760mmHg
• Flash Point: 201.2°C
• PSA: 0.00000
• Density: 1.321g/cm³
• LogP: 5.32280
• Storage Temp.: <0°C
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 250.0549280
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Chloromethylpyrene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCl

Technology Process of 1-Chloromethylpyrene

There total 7 articles about 1-Chloromethylpyrene 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: 100.0%

1-pyrenemethanol (24463-15-8) → 1-chloromethylpyrene (1086-00-6)

Guidance literature:

With thionyl chloride; In toluene; for 12h; Heating;

DOI:10.1063/1.1510745

Reference yield:

pyrene-1-aldehyde (3029-19-4) → 1-chloromethylpyrene (1086-00-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄ / CHCl₃; ethanol

2: SOCl₂ / pyridine; diisopropyl ether

With sodium tetrahydroborate; thionyl chloride; In pyridine; ethanol; chloroform; di-isopropyl ether;

Reference yield:

(2-nitrophenyl)(pyren-1-ylmethyl)selane (1386958-83-3) → 1-chloromethylpyrene (1086-00-6)

Guidance literature:

With sodium hypochlorite; tetrabutyl-ammonium chloride; In chloroform-d1; water;

DOI:10.1016/j.tetlet.2012.05.022

upstream raw materials:

1-pyrenemethanol

pyrene-1-aldehyde

(2-nitrophenyl)(pyren-1-ylmethyl)selane

1-bromomethylpyrene

Downstream raw materials:

[4-(Pyren-1-ylmethoxy)-phenyl]-methanol

4-N-benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-O-(1-pyrenylmethyl)cytidine

2'-O-(pyren-1-ylmethyl)-N-benzoyl-cytidine

3′-O-(2-cyanoethoxy(diisopropylamino)phosphinyl)-5′-O-(4,4′-dimethoxytrityl)-2-N-isobutyryl-2′-O-(pyren-1-yl)-methylguanosine