2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

Base Information

• Chemical Name: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
• CAS No.: 42327-95-7
• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.214
• Hs Code.: 2932999099
• European Community (EC) Number: 867-686-9
• DSSTox Substance ID: DTXSID30383691
• Wikidata: Q82175481
• Mol file: 42327-95-7.mol

Synonyms:42327-95-7;2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid;2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxylic acid;2,2-dimethyl-3H-1-benzofuran-7-carboxylic acid;SDCCGMLS-0066067.P001;SCHEMBL783714;DTXSID30383691;AVVACPBRCFXZMR-UHFFFAOYSA-N;MFCD03426826;AKOS006283231;AS-69927;CS-0215131;FT-0609257;EN300-225935;W18586;J-506807;2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxylicacid;2, 3-dihydro-2, 2-dimethylbenzofuran-7-carboxylic acid;2,2-dimethyl-2,3-dihydro-benzofuran-7-carboxylic acid;2,2-dimethyl-2,3-dihydro-1-benzo[b]furan-7-carboxylic acid;InChI=1/C11H12O3/c1-11(2)6-7-4-3-5-8(10(12)13)9(7)14-11/h3-5H,6H2,1-2H3,(H,12,13

Chemical Property of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000115mmHg at 25°C
• Melting Point: 137 °C
• Refractive Index: 1.557
• Boiling Point: 322.4°Cat760mmHg
• Flash Point: 126.7°C
• PSA: 46.53000
• Density: 1.197g/cm³
• LogP: 2.09830
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 247

Purity/Quality:

98%Min ^*data from raw suppliers

2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC2=C(O1)C(=CC=C2)C(=O)O)C

Technology Process of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

There total 9 articles about 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic 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: 82.0%

→ 2,3-Dihydro-2,2-dimethyl-7-benzofurancarbonsaeure (42327-95-7)

Guidance literature:

Reference yield: 61.0%

2-Hydroxy-3-(2-methyl-2-propenyl)-benzoesaeure (91143-32-7) → 2,3-Dihydro-2,2-dimethyl-7-benzofurancarbonsaeure (42327-95-7)

Guidance literature:

at 210 - 215 ℃; for 0.75h;

DOI:10.1007/BF00808952

Reference yield: 52.0%

2-methallyloxybenzoic acid (119171-39-0) → 2,3-Dihydro-2,2-dimethyl-7-benzofurancarbonsaeure (42327-95-7)

Guidance literature:

at 190 - 200 ℃; for 6h;

DOI:10.1007/BF00808952

upstream raw materials:

2,2-dimethyl-2,3-dihydro-1-benzofuran

carbon dioxide

2-methallyloxybenzoic acid

2-Hydroxy-3-(2-methyl-2-propenyl)-benzoesaeure

Downstream raw materials:

2,3-Dihydro-N-<4-(1,1-dimethylethyl)phenylmethyl>-N,2,2-trimethyl-7-benzofurancarboxamid

C₄₅H₆₈N₄O₇