3,4-dihydro-2H-chromen-2-ylmethanol

Base Information

• Chemical Name: 3,4-dihydro-2H-chromen-2-ylmethanol
• CAS No.: 83278-86-8
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 2932999099
• European Community (EC) Number: 816-397-6
• DSSTox Substance ID: DTXSID401003253
• Nikkaji Number: J1.627.560C
• Mol file: 83278-86-8.mol

Synonyms:83278-86-8;3,4-dihydro-2H-chromen-2-ylmethanol;(3,4-Dihydro-2H-chromen-2-yl)methanol;2-(Hydroxymethyl)chromane;chroman-2-ylmethanol;2H-1-Benzopyran-2-methanol, 3,4-dihydro-;(3,4-Dihydro-2H-1-benzopyran-2-yl)methanol;2-(Hydroxymethyl)chroman;(Chroman-2-yl)methanol;chromanylmethanol;2-Chromanemethanol;chroman-2-methanol;2-hydroxymethylchroman;3,4-dihydro-2H-1-benzopyran-2-ylmethanol;SCHEMBL936563;KDLVSGWUKFJFTL-UHFFFAOYSA-N;DTXSID401003253;MFCD06658990;3.4-dihydro-2H-chromen-2-ylmethanol;AKOS006345240;AB89577;AC-4775;PS-3737;3,4-dihydro-2H1-benzopyran-2-methanol;3,4-dihydro-2H-1-benzopyran-2-methanol;AM804385;CS-0036516;FT-0701794;EN300-3463123

Chemical Property of 3,4-dihydro-2H-chromen-2-ylmethanol

Chemical Property:

• Melting Point: 44 °C
• Boiling Point: 293.2 °C at 760 mmHg
• PKA: 14.18±0.10(Predicted)
• Flash Point: 133.9 °C
• PSA: 29.46000
• Density: 1.125 g/cm³
• LogP: 1.37250
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dihydro-2H-chromen-2-ylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2OC1CO

Technology Process of 3,4-dihydro-2H-chromen-2-ylmethanol

There total 10 articles about 3,4-dihydro-2H-chromen-2-ylmethanol 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: 97.0%

ethyl Chroman-2-carboxylate (24698-77-9) → 3,4-dihydro-2H-1-benzopyran-2-methanol (83278-86-8)

Guidance literature:

With sodium borohydrid; In tetrahydrofuran; water; acetone;

Reference yield: 97.0%

2-(2-methoxy-ethoxymethoxymethyl)-chroman → 3,4-dihydro-2H-1-benzopyran-2-methanol (83278-86-8)

Guidance literature:

With cerium(III) chloride; In acetonitrile; for 1h; Heating;

DOI:10.1021/ol015585w

Reference yield: 89.0%

chroman-2-carboxylic acid (51939-71-0) → 3,4-dihydro-2H-1-benzopyran-2-methanol (83278-86-8)

Guidance literature:

With diborane; In tetrahydrofuran; at 0 - 20 ℃; for 5h;

upstream raw materials:

chroman-2-carboxylic acid

ethyl Chroman-2-carboxylate

4-(2-Chloro-phenyl)-butane-1,2-diol

2-bromo-1-chlorobenzene

Downstream raw materials:

1-Chroman-2-ylmethyl-piperidine

3,4-dihydro-2H-1-benzopyran-2-methanol 4-methylbenzenesulfonate (ester)

Refernces

• 1、 -. "BROMODOMAIN INHIBITORS". Paragraph 1476; 1477. . Retrieved 2015/04/28.
• 2、 Maryanoff, Bruce E.,McComsey, David F.,Costanzo, Michael J.,Hochman, Coralie,Smith-Swintosky, Virginia,Shank, Richard P.. "Comparison of sulfamate and sulfamide groups for the inhibition of carbonic anhydrase-II by using topiramate as a structural platform". . p. 1941 - 1947. Retrieved 2007/10/03.