2,3-Dihydro-2,2-dimethyl-7-benzofuranol

Base Information

• Chemical Name: 2,3-Dihydro-2,2-dimethyl-7-benzofuranol
• CAS No.: 1563-38-8
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 2932991000
• European Community (EC) Number: 216-350-4
• UN Number: 3082
• UNII: 772HS1899G
• DSSTox Substance ID: DTXSID2027414
• Nikkaji Number: J7.515I
• Wikidata: Q27117868
• Metabolomics Workbench ID: 55880
• ChEMBL ID: CHEMBL2259976
• Mol file: 1563-38-8.mol

Synonyms:1563-38-8;2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL;Carbofuran phenol;2,2-dimethyl-2,3-dihydrobenzofuran-7-ol;2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-ol;Carbofuran 7-phenol;2,3-Dihydro-2,2-dimethyl-7-hydroxybenzofuran;7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-;Carbofuranphenol;Benzofuranol;NIA 10272;2,2-dimethyl-3H-1-benzofuran-7-ol;CCRIS 9206;HSDB 5839;Carbofuran-phenol;2,3-Dihydro-2,2-dimethylbenzofuran-7-ol;RCRA waste no. U367;EINECS 216-350-4;2,3-Dihydro-2,2-dimethyl-7-hydorxybenzofuran;CHEBI:38474;AI3-27488;2,2-dimethyl-3H-benzofuran-7-ol;2,2-Dimethyl-2,3-dihydrobenzo[b]furan-7-ol;DTXSID2027414;UNII-772HS1899G;772HS1899G;NCGC00164145-01;LS-35292;DTXCID407414;CAS-1563-38-8;2,2-DIMETHYL-2,3-DIHYDROBENZO(B)FURAN-7-OL;Carbofuran-7-ol;Carbofuran-7-phenol;Carbofuran-phenol, 7-phenol;SCHEMBL743626;347256_ALDRICH;2,2-Dimethyl-7-hydroxycoumaran;CHEMBL2259976;SCHEMBL10977609;AIDS170430;BB_NC-0467;AIDS-170430;Tox21_201958;Tox21_303234;BBL028151;MFCD00075382;STK801791;ZINC03881547;AKOS000120919;CS-W010831;6-Chlorodibenz[c,e][1,2]oxaphosphorin;2,2-dimethyl2,3-dihydrobenzofuran-7-ol;NCGC00164145-02;NCGC00257112-01;NCGC00259507-01;TS-02192;2,2-dimethyl-2,3-dihydro-benzofuran-7-ol;2,3-dihydro-2,2-dimethyl-benzofuran-7-ol;7-Benzofuranol, 2,3-dihydro-2,2-dimethyl;7-Benzofuranol, 2,3-dihidro-2,2-dimetil-;Carbofuran Phenol 100 microg/mL in Methanol;D2154;FT-0623476;2,3-Dihydro-2,2-dimethyl-7-benzo[b]furanol;EN300-19021;7-Hydroxy-2,3-dihydro-2,2-dimethylbenzofurane;S10879;2,3-dihydro-2,2-dimethyl-7-hydroxy-benzofuran;2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-ol #;2,3-Dihydro-2,2-dimethyl-7-benzofuranol, 99%;A809736;W-108013;Q27117868;2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL [HSDB];F0001-0555;Z104472252

Chemical Property of 2,3-Dihydro-2,2-dimethyl-7-benzofuranol

Chemical Property:

• Appearance/Colour: white crystalline solid
• Vapor Pressure: 0.839mmHg at 25°C
• Refractive Index: n20/D 1.541(lit.)
• Boiling Point: 255.9 °C at 760 mmHg
• PKA: 10.10±0.40(Predicted)
• Flash Point: 107.5 °C
• PSA: 29.46000
• Density: 1.121 g/cm³
• LogP: 2.10570
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Sparingly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 177
• Transport DOT Label: Class 9

Purity/Quality:

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

2,3-Dihydro-2,2-dimethyl-7-benzofuranol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzofuran Derivatives
• Canonical SMILES: CC1(CC2=C(O1)C(=CC=C2)O)C
• Uses: 2,3-Dihydro-2,2-dimethyl-7-benzofuranol was used as starting reagent in the preparation of aminoalkanol derivatives of 2,3-dihydro-2,2-dimethyl-7-benzofuranol.

Technology Process of 2,3-Dihydro-2,2-dimethyl-7-benzofuranol

There total 20 articles about 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 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: 84.0%

methallylpyrocatechol (77391-95-8) → 2,3-dihydro-2,2-dimethylbenzofuran-7-ol (1563-38-8)

Guidance literature:

With iodine; In dichloromethane; for 0.5h; Ambient temperature;

Reference yield: 81.6%

ortho-methallylpyrocatechol (4790-71-0) → 2,3-dihydro-2,2-dimethylbenzofuran-7-ol (1563-38-8)

Guidance literature:

With C₁₀H₁₁O₂^(1-)*C₃H₄O₃^(2-)*Al⁽³⁺⁾; In 2-methoxy-ethanol; at 155 - 165 ℃; for 3h; Reagent/catalyst;

Reference yield: 77.0%

2,3-dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate (1563-66-2) → 2,3-dihydro-2,2-dimethylbenzofuran-7-ol (1563-38-8)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1021/jf980347+

upstream raw materials:

methallylpyrocatechol

2,3-dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate

2-(2-hydroxy-2-methylpropoxy)-phenol

toluene-4-sulfonic acid

Downstream raw materials:

benzyloxymethylcarbamic acid 2,2-dimethyl-2,3-dihydrobenzofuran-7-yl ester

2,3-dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate

2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl 4-{[(1-{3-chloro-5-[(3,3-dichloroprop-2-en-1-yl)oxy]-2-methoxyphenyl}ethylidene)amino]oxy}butyrate

Refernces

• 1、 Metcalf et al.. "". . p. 300,301. Retrieved 1968.
• 2、 Arias, Manuel,Garcia-Rio, Luis,Mejuto, Juan C.,Rodriguez-Dafonte, Pedro,Simal-Gandara, Jesus. "Influence of micelles on the basic degradation of carbofuran". . p. 7172 - 7178. Retrieved 2005.
• 3、 -. "[2 - (2-methyl-allyloxy) phenoxy] hydroxy carboxylic acid aluminum preparation method and application". Paragraph 0039-0042. . Retrieved 2017/02/28.