Chromane

Base Information

• Chemical Name: Chromane
• CAS No.: 493-08-3
• Molecular Formula: C9H10 O
• Molecular Weight: 134.178
• Hs Code.: 2932990090
• European Community (EC) Number: 874-955-4
• UNII: EJ8R7LY9PK
• DSSTox Substance ID: DTXSID10197758
• Nikkaji Number: J6.066F
• Wikipedia: Chromane
• Wikidata: Q1087547
• Metabolomics Workbench ID: 54876
• Mol file: 493-08-3.mol

Synonyms:Chroman;Chromane;493-08-3;Dihydrobenzopyran;3,4-dihydro-2H-chromene;3,4-Dihydro-2H-1-benzopyran;2H-1-Benzopyran, 3,4-dihydro-;EJ8R7LY9PK;3,4-dihydrobenzo[b]pyran;3,4-DIHYDRO-(1H)-BENZOPYRANE;MFCD00138123;racemic chroman;2H-1-Benzopyran,3,4-dihydro;3,4-dihydrobenzopyran;UNII-EJ8R7LY9PK;Benzopyran, 3,4-dihydro;3,4-dihydro-1-benzopyran;SCHEMBL8447;3,4-dihydro-2H-benzopyran;SCHEMBL5838881;CHEBI:33224;DTXSID10197758;CS-M3130;AKOS006227680;AS-3232;SY174231;FT-0733518;EN300-51665;F13522;A871816;Q1087547;Z728136016

Chemical Property of Chromane

Chemical Property:

• Vapor Pressure: 0.224mmHg at 25°C
• Melting Point: 4.8°C
• Refractive Index: 1.5444
• Boiling Point: 214.7°Cat760mmHg
• Flash Point: 76.2°C
• PSA: 9.23000
• Density: 1.053g/cm³
• LogP: 2.01160
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 134.073164938
• Heavy Atom Count: 10
• Complexity: 111

Purity/Quality:

98%Min ^*data from raw suppliers

3,4-Dihydro-2H-1-benzopyran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2OC1

Technology Process of Chromane

There total 15 articles about Chromane 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: 72.0%

3-phenylpropyl hydroperoxide (60956-33-4,1201808-31-2) → 3-phenyl-propionaldehyde (104-53-0) + chromane (493-08-3) + 3-Phenyl-1-propanol (122-97-4)

Guidance literature:

With ammonia; ethylenediaminetetraacetic acid disodium salt; iron(II) sulfate; In water; acetonitrile; for 3h; Ambient temperature;

Reference yield: 62.0%

3-Phenyl-1-propanol (122-97-4) → chromane (493-08-3) + 4-hydroxychroman (1481-93-2)

Guidance literature:

With dipotassium peroxodisulfate; copper(II) sulfate; iron(II) sulfate; In water; acetonitrile; for 3h; Heating;

Reference yield: 60.0%

→ chromane (493-08-3) + Tocopherol (59-02-9,18920-62-2)

Guidance literature:

upstream raw materials:

2H-chromene

4H-1-benzopyran

3-Phenyl-1-propanol

O-allyl-2-bromophenol

Downstream raw materials:

chroman-6-sulfonyl chloride

3,4-dihydro-2H-1-benzopyran-4-carboxylic acid

C₃₂H₃₃NO₅

C₃₁H₃₁NO₅

Refernces

• 1、 Furuyama, Shusuke,Togo, Hideo. "An efficient preparation of chroman derivatives from 3-aryl-1-propanols and related compounds with 1,3-diiodo-5,5-dimethylhydantoin under irradiation conditions". scheme or table. p. 2325 - 2329. Retrieved 2010/11/16.
• 2、 Paul, Gitendra C.,Gajewski, Joseph J.. "o-Benzoquinone Methide: An Intermediate in the Gas-Phase Pyrolysis of Chroman". . p. 5060 - 5062. Retrieved 2007/10/02.