3,3-Dimethyl-1-indanol

Base Information

• Chemical Name: 3,3-Dimethyl-1-indanol
• CAS No.: 38393-92-9
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID10959313
• Nikkaji Number: J130.715K
• Mol file: 38393-92-9.mol

Synonyms:3,3-Dimethyl-1-indanol;38393-92-9;3,3-dimethylindan-1-ol;3,3-Dimethyl-2,3-dihydro-1H-inden-1-ol;1-Indanol, 3,3-dimethyl-;1H-Inden-1-ol,2,3-dihydro-3,3-dimethyl-;1H-Inden-1-ol, 2,3-dihydro-3,3-dimethyl-;1,1-Dimethylindan-3-ol;3,3-Dimethyl-indan-1-ol;SCHEMBL1508195;DTXSID10959313;MFCD00049158;AKOS006271513;SY297314;FT-0691960

Chemical Property of 3,3-Dimethyl-1-indanol

Chemical Property:

• Vapor Pressure: 0.00498mmHg at 25°C
• Boiling Point: 264.1°Cat760mmHg
• PKA: 14.26±0.40(Predicted)
• Flash Point: 100.3°C
• PSA: 20.23000
• Density: 1.053g/cm³
• LogP: 2.40130
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

3,3-Dimethyl-2,3-dihydro-1H-inden-1-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(C2=CC=CC=C21)O)C

Technology Process of 3,3-Dimethyl-1-indanol

There total 7 articles about 3,3-Dimethyl-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: 97.0%

3,3-dimethylindan-1-one (26465-81-6) → 2,3-dihydro-3,3-dimethyl-1H-inden-1-ol (38393-92-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Heating;

DOI:10.1016/0022-328X(83)85040-2

Reference yield: 53.0%

1-(2-bromophenyl)-3-methyl-3-buten-1-ol → 3-methyl-1,2,3,4-tetrahydro-1-naphthol (3344-45-4) + 2,3-dihydro-3,3-dimethyl-1H-inden-1-ol (38393-92-9)

Guidance literature:

With phenanthrene; tetraethylammonium perchlorate; In N,N-dimethyl-formamide; at 0 ℃; Electrochemical reaction;

DOI:10.1246/cl.2003.720

Reference yield:

ortho-bromobenzaldehyde (6630-33-7) → 2,3-dihydro-3,3-dimethyl-1H-inden-1-ol (38393-92-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Zn

2: AIBN; Bu₃SnH / benzene / Heating

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; zinc; In benzene;

DOI:10.1016/j.tet.2003.12.038

upstream raw materials:

3,3-dimethylindan-1-one

ortho-bromobenzaldehyde

3-methyl-3-phenylbutanoic acid

3-Methylbutenoic acid

Downstream raw materials:

1,1-dimethyl-1H-indene

N-((1,1-dimethyl-1H-inden-2-yl)methyl)-4-methyl-N-phenylbenzenesulfonamide

N-((1,1-dimethyl-1H-inden-2-yl)methyl)-N-phenylmethanesulfonamide

N-((1,1-dimethyl-1H-inden-2-yl)methyl)-4-isopropylaniline