2-Bromo-1-indanol

Base Information

• Chemical Name: 2-Bromo-1-indanol
• CAS No.: 5400-80-6
• Molecular Formula: C9H9 Br O
• Molecular Weight: 213.074
• Hs Code.: 2906299090
• European Community (EC) Number: 226-442-6
• NSC Number: 10389
• UNII: 4E68V72BZA
• DSSTox Substance ID: DTXSID701316516
• Nikkaji Number: J208.139C
• Wikidata: Q106902636
• Mol file: 5400-80-6.mol

Synonyms:2-Bromo-1-indanol;5400-80-6;2-bromo-2,3-dihydro-1H-inden-1-ol;2-Bromoindan-1-ol;2-Bromo-1-hydroxyindane;Indene bromohydrin;trans-2-Bromo-1-indanol;1H-Inden-1-ol, 2-bromo-2,3-dihydro-;1-Indanol, 2-bromo-;1-Hydroxy-2-bromoindan;EINECS 226-442-6;NSC-10389;rac-(1R,2S)-2-bromo-2,3-dihydro-1H-inden-1-ol, cis;2-Bromo-1-hydroxyhydrindene;252984-60-4;NSC10389;MFCD00003798;SCHEMBL383562;4E68V72BZA;DTXSID701316516;STR03672;NSC 10389;AKOS000120550;AKOS016050383;B1300;CS-0155928;FT-0611382;FT-0689272;EN300-20982;2P-744;AP-406/41269981;J-500412;J-500431;Z104485720

Chemical Property of 2-Bromo-1-indanol

Chemical Property:

• Appearance/Colour: White to off-white crystalline powder.
• Vapor Pressure: 0.000152mmHg at 25°C
• Melting Point: 129-132 °C(lit.)
• Refractive Index: 1.5720 (estimate)
• Boiling Point: 318.3°Cat760mmHg
• PKA: 13.19±0.40(Predicted)
• Flash Point: 146.3°C
• PSA: 20.23000
• Density: 1.64g/cm³
• LogP: 2.03960
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• 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%, ^*data from raw suppliers

2-Bromo-1-indanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(C2=CC=CC=C21)O)Br
• Uses: 2-Bromo-1-indanol is a bicyclic alcohol with antiviral properties.

Technology Process of 2-Bromo-1-indanol

There total 14 articles about 2-Bromo-1-indanol 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: 86.0%

1-indene (95-13-6) → 2-bromo-1-indanol (5400-80-6,78684-69-2) + 1,2-dibromoindane (20357-79-3) + 2-bromoindanone (1775-27-5)

Guidance literature:

With sodium bromate; sulfuric acid; sodium bromide; In 1,4-dioxane; water; at 20 ℃; for 6h;

DOI:10.1016/j.tetlet.2009.03.047

Reference yield: 80.0%

1-indene (95-13-6) → 2-bromo-1-indanol (5400-80-6,78684-69-2)

Guidance literature:

With N-Bromosuccinimide; water; In dimethyl sulfoxide; at 0 ℃; for 2.1h;

Reference yield: 68.0%

1-indene (95-13-6) → 2-bromo-1-indanol (5400-80-6,78684-69-2) + 2-bromo-1-methoxyindane (38135-26-1)

Guidance literature:

With methanol; N-Bromosuccinimide; for 2h; Ambient temperature;

upstream raw materials:

bromocyane

1-indene

N-bromoacetamide

2-bromoindanone

Downstream raw materials:

2-indanone

2-bromoindanone

2-amino-1-hydroxyindane

(1aR,6aS)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene