4-Bromo-2,3-dihydro-1H-inden-1-ol

Base Information

• Chemical Name: 4-Bromo-2,3-dihydro-1H-inden-1-ol
• CAS No.: 16657-10-6
• Molecular Formula: C9H9BrO
• Molecular Weight: 213.074
• Hs Code.: 2906299090
• European Community (EC) Number: 663-018-3
• DSSTox Substance ID: DTXSID00537048
• Mol file: 16657-10-6.mol

Synonyms:4-Bromo-2,3-dihydro-1H-inden-1-ol;16657-10-6;4-Bromo-1-indanol;1H-Inden-1-ol, 4-bromo-2,3-dihydro-;MFCD11219497;4-Bromoindan-1-ol;4-BROMO-INDAN-1-OL;(S)-4-Bromoindan-1-ol;4-Bromo-1-indanol, 97%;SCHEMBL378970;DTXSID00537048;RNXQQZNOSYBFTN-UHFFFAOYSA-N;MFCD16990816;AKOS012575963;AM86678;BS-21684;SY225993;SY274343;CS-0186950;(+/-)-4-bromo-2,3-dihydro-1H-inden-1-ol;F30208;A882313

Chemical Property of 4-Bromo-2,3-dihydro-1H-inden-1-ol

Chemical Property:

• Melting Point: 72℃
• PSA: 20.23000
• LogP: 2.42870
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 211.98368
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

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

4-Bromo-1-indanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC2=C(C1O)C=CC=C2Br

Technology Process of 4-Bromo-2,3-dihydro-1H-inden-1-ol

There total 9 articles about 4-Bromo-2,3-dihydro-1H-inden-1-ol 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: 98.0%

4-bromo-2,3-dihydroinden-1-one (15115-60-3) → (±)-4-bromo-2,3-dihydro-1H-inden-1-ol (16657-10-6)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 25 ℃; for 2h;

DOI:10.1021/jo00196a024

Reference yield:

3-(2-bromophenyl)propionic acid (15115-58-9) → (±)-4-bromo-2,3-dihydro-1H-inden-1-ol (16657-10-6)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / 0.75 h / Heating

2: 93 percent / AlCl₃ / CS₂ / 3 h / Heating

3: 98 percent / NaBH₄ / ethanol / 2 h / 25 °C

With sodium tetrahydroborate; aluminium trichloride; thionyl chloride; In carbon disulfide; ethanol;

DOI:10.1021/jo00196a024

Reference yield:

3-(2-bromophenyl)propanoyl chloride (90725-40-9) → (±)-4-bromo-2,3-dihydro-1H-inden-1-ol (16657-10-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / AlCl₃ / CS₂ / 3 h / Heating

2: 98 percent / NaBH₄ / ethanol / 2 h / 25 °C

With sodium tetrahydroborate; aluminium trichloride; In carbon disulfide; ethanol;

DOI:10.1021/jo00196a024

upstream raw materials:

4-bromo-2,3-dihydroinden-1-one

3-(2-bromophenyl)propanoyl chloride

diethyl 2-(2-bromobenzyl)propan-1,3-dioate

3-(2-bromophenyl)propionic acid

Downstream raw materials:

4-bromo-3H-indene

4-phenyl-2,3-dihydro-1H-inden-1-ol

4-bromo-1,3-dihydro-2H-inden-2-one

4-bromo-2,3-dihydro-1H-inden-2-ol

Refernces

• 1、 -. "FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS". Paragraph 00197; 00205. . Retrieved 2021/11/20.
• 2、 Umeda, Moeko,Noguchi, Hikaru,Nishimura, Takahiro. "Enantioselective Synthesis of Chiral Indane Derivatives by Rhodium-Catalyzed Addition of Arylboron Reagents to Substituted Indenes". supporting information. p. 9597 - 9602. Retrieved 2020/12/21.