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:

5-(pyren-1-ylmethoxy)-isophthalic acid diethyl ester

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

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

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

Refernces

• 1、 Katritzky, Alan R.,Yang, Zhijun,Lam, Jamshed N.,Nagel, Colleen C.. "Synthesis of symmetrical and unsymmetrical disubstituted α-pyrenylmethyl and α-perylenylmethyl malonate and cyanoacetate allyl esters". . p. 203 - 210. Retrieved 1998.
• 2、 Kumari, Namita,Jha, Satadru,Misra, Santosh K.,Bhattacharya, Santanu. "A Probe for the selective and parts-per-billion-level detection of copper(II) and mercury(II) using a micellar medium and its utility in cell imaging". . p. 1059 - 1064. Retrieved 2014.
• 3、 Hsieh, Yu-Chi,Chir, Jiun-Ly,Yang, Shih-Tse,Chen, Shau-Jiun,Hu, Ching-Han,Wu, An-Tai. "A sugar-aza-crown ether-based fluorescent sensor for Cu2+ and Hg2+ ions". . p. 978 - 981. Retrieved 2011.
• 4、 Morales-Espinoza, Eric G.,Lijanova, Irina V.,Morales-Saavedra, Omar G.,Torres-Zuniga, Vicente,Hernandez-Ortega, Simon,Martinez-Garcia, Marcos. "Synthesis of porphyrin-dendrimers with a pyrene in the periphery and their cubic nonlinear optical properties". . p. 6950 - 6968. Retrieved 2011.
• 5、 Ding, Liping,Wang, Shihuai,Liu, Yuan,Cao, Jianhua,Fang, Yu. "Bispyrene/surfactant assemblies as fluorescent sensor platform: Detection and identification of Cu2+ and Co2+ in aqueous solution". . p. 8866 - 8875. Retrieved 2013.
• 6、 Ling, Irene,Hashim, Rauzah,Sabah, Karem J.. "Sugar thiacrown-ether appended calix[4]arene as a selective chemosensor for Fe2+ and Fe3+ ions". . p. 88038 - 88044. Retrieved 2015/11/09.