3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid

Base Information

Chemical Name:3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid
CAS No.:58821-97-9
Molecular Formula:C₁₅H₂₀O₃
Molecular Weight:248.322
Hs Code.:
DSSTox Substance ID:DTXSID20207554
Nikkaji Number:J395.520F
Wikidata:Q83081458
ChEMBL ID:CHEMBL300782
Mol file:58821-97-9.mol

Synonyms:3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid

Suppliers and Price of 3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid

Chemical Property:

Vapor Pressure:9.56E-07mmHg at 25°C
Boiling Point:388.9°C at 760 mmHg
PKA:4.76±0.10(Predicted)
Flash Point:141.8°C
PSA：46.53000
Density:1.097g/cm³
LogP:3.19750
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:248.14124450
Heavy Atom Count:18
Complexity:298

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CCC2=C(O1)C=CC(=C2)CCCC(=O)O)C

Technology Process of 3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid

There total 5 articles about 3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid 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:

: 4-(2,2-Dimethyl-chroman-6-yl)-butyric acid methyl ester

: 58821-97-9
4-(2,2-dimethylchroman-6-yl)butyric acid

Guidance literature:: With potassium hydroxide; In methanol; at 100 ℃; for 4h; Yield given;
DOI:10.1021/jm00394a007

Reference yield:

: 109996-87-4
4-(2,2-Dimethyl-chroman-6-yl)-4-oxo-butyric acid methyl ester

: 58821-97-9
4-(2,2-dimethylchroman-6-yl)butyric acid

Guidance literature:: Multi-step reaction with 2 steps

1: Zn, Hg, concd. HCl / methanol

2: aq. KOH / methanol / 4 h / 100 °C

With hydrogenchloride; potassium hydroxide; mercury; zinc; In methanol;
DOI:10.1021/jm00394a007

Reference yield:

: 4521-28-2
4-(4-Methoxyphenyl)butyric acid

: 58821-97-9
4-(2,2-dimethylchroman-6-yl)butyric acid

Guidance literature:: Multi-step reaction with 2 steps

1: aq. HI / 13 h / Heating

2: NaH / toluene / 1.) 60 deg C, 2.5 h, 2.) 35 deg C, 72 h

With hydrogen iodide; sodium hydride; In toluene;