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(2,3-DIHYDRO-1H-INDEN-2-YL)METHANOL, a chemical compound with the molecular formula C10H12O, is a white crystalline solid known for its unique, floral, and slightly woody odor. It is commonly utilized as a fragrance ingredient in the production of perfumes, cosmetics, and other personal care products, as well as a flavoring agent in food products. This versatile compound serves as an intermediate in the synthesis of other chemical compounds, making it a valuable asset in various industries.

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  • 5445-45-4 Structure
  • Basic information

    1. Product Name: (2,3-DIHYDRO-1H-INDEN-2-YL)METHANOL
    2. Synonyms: (2,3-DIHYDRO-1H-INDEN-2-YL)METHANOL;2-Hydroxymethylindane;1H-INDENE-2-METHANOL,2,3-DIHYDRO-;Indan-2-yl-methanol
    3. CAS NO:5445-45-4
    4. Molecular Formula: C10H12O
    5. Molecular Weight: 148.2
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5445-45-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 263.7°Cat760mmHg
    3. Flash Point: 122.4°C
    4. Appearance: /
    5. Density: 1.08g/cm3
    6. Vapor Pressure: 2.12E-14mmHg at 25°C
    7. Refractive Index: 1.661
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: (2,3-DIHYDRO-1H-INDEN-2-YL)METHANOL(CAS DataBase Reference)
    11. NIST Chemistry Reference: (2,3-DIHYDRO-1H-INDEN-2-YL)METHANOL(5445-45-4)
    12. EPA Substance Registry System: (2,3-DIHYDRO-1H-INDEN-2-YL)METHANOL(5445-45-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5445-45-4(Hazardous Substances Data)

5445-45-4 Usage

Uses

Used in Fragrance Industry:
(2,3-DIHYDRO-1H-INDEN-2-YL)METHANOL is used as a fragrance ingredient for its floral and woody scent, enhancing the aroma of perfumes, cosmetics, and personal care products.
Used in Flavor Industry:
In the flavor industry, (2,3-DIHYDRO-1H-INDEN-2-YL)METHANOL is used as a flavoring agent to impart a unique taste to food products.
Used in Chemical Synthesis:
(2,3-DIHYDRO-1H-INDEN-2-YL)METHANOL is used as an intermediate in the synthesis of other chemical compounds, contributing to the development of new products and materials.
It is crucial to handle (2,3-DIHYDRO-1H-INDEN-2-YL)METHANOL with care, as it can cause irritation to the skin, eyes, and respiratory system if not used properly.

Check Digit Verification of cas no

The CAS Registry Mumber 5445-45-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,4 and 5 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 5445-45:
(6*5)+(5*4)+(4*4)+(3*5)+(2*4)+(1*5)=94
94 % 10 = 4
So 5445-45-4 is a valid CAS Registry Number.
InChI:InChI=1/C22H21NO4/c1-3-15-10-6-7-14(2)21(15)23-20(25)13-27-22(26)18-11-16-8-4-5-9-17(16)12-19(18)24/h4-12,24H,3,13H2,1-2H3,(H,23,25)

5445-45-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,3-dihydro-1H-inden-2-ylmethanol

1.2 Other means of identification

Product number -
Other names 1H-Indene-2-methanol,2,3-dihydro

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5445-45-4 SDS

5445-45-4Relevant articles and documents

Regioselective methylenation and in situ methanolation of ketones prone to C-C double-bond isomerisation

Bjornstad, Vidar,Undheim, Kjell

, p. 235 - 238 (2007)

An efficient methylenation reaction in isomer-labile ketones is described. The methylenation reaction is based on an improved method for the formation of bis(iodozincio)methane [CH2(ZnI)2]. A subsequent in situ hydroboration-oxidation sequence provides the corresponding methanol derivatives in high yields without double-bond isomerisation. Georg Thieme Verlag Stuttgart.

Chemoselective hydrosilylation of carboxylic acids using a phosphine-free ruthenium complex and phenylsilane

Abhilash, Vishwanathan,Gadakh, Amol V.,Ganesh, Sambasivam,Hegde, Shivaprasad N.,Jacob, Anand,Karthik, C. S.,Lamees, Thundianandi,Mathivanan, Namachivayam,Sathiyanarayanan, Arumugam Murugan

supporting information, (2022/03/01)

A highly chemoselective hydrosilylation of carboxylic acids was achieved using a bench-stable, phosphine-free Ru-complex tethered with hemi-labile thiophene ligands as the catalyst, employing phenylsilane as the reducing agent. The methodology was further elaborated towards the one-pot synthesis of indole and benzoxazine via tandem reduction/cyclization of acid and nitro group.

NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF

-

Paragraph 00199, (2020/12/01)

The invention provides compounds for inhibiting glucosylceramidases, prodrugs of the compounds, and pharmaceutical compositions including the compounds or prodrugs of the compounds.

Acid-Promoted Hydroformylative Synthesis of Alcohol with Carbon Dioxide by Heterobimetallic Ruthenium-Cobalt Catalytic System

Zhang, Xuehua,Tian, Xinxin,Shen, Chaoren,Xia, Chungu,He, Lin

, p. 1986 - 1992 (2019/03/17)

The acid-aided heterobimetallic ruthenium-cobalt catalytic system for the reductive hydroformylation with carbon dioxide was established. Various alkenes, including waste from biomass and petroleum industry, could be upgraded to valuable alcohols with this protocol. Acid-promoted reverse water-gas shift (RWGS), thereby accelerating the hydroformylative synthesis of alcohol. The theoretical computations revealed that acid promoted RWGS by facilitating the dehydroxylation of ruthenium hydroxy carbonyl intermediate.

GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES

-

Paragraph 000258, (2015/04/15)

Described herein are compounds of Formula I, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or conditions associated with the enzyme glucosylceramide synthase (GCS).

ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING

-

Page/Page column 135, (2012/08/27)

Compounds are disclosed that are effective in inhibition of fatty acid amide hydrolase, an enzyme responsible for catabolism of endogenous cannabinoids such as anandamide. The compounds are useful as analgesic compounds and as sleep-inducing compounds, that can be orally administered, and that can have a relatively long duration of effect. Methods of preparation of the compounds are also provided. The compounds are conformationally constrained analogs of heterocyclylketones such as oxazolylketones.

Reversible competitive α-ketoheterocycle inhibitors of fatty acid amide hydrolase containing additional conformational constraints in the acyl side chain: Orally active, long-acting analgesics

Ezzili, Cyrine,Mileni, Mauro,McGlinchey, Nicholas,Long, Jonathan Z.,Kinsey, Steven G.,Hochstatter, Dustin G.,Stevens, Raymond C.,Lichtman, Aron H.,Cravatt, Benjamin F.,Bilsky, Edward J.,Boger, Dale L.

supporting information; experimental part, p. 2805 - 2822 (2011/06/24)

A series of α-ketooxazoles containing conformational constraints in the C2 acyl side chain of 2 (OL-135) were examined as inhibitors of fatty acid amide hydrolase (FAAH). Only one of the two possible enantiomers displayed potent FAAH inhibition (S vs R en

Identification of a novel class of succinyl-nitrile-based Cathepsin S inhibitors

Bekkali, Younes,Thomson, David S.,Betageri, Raj,Emmanuel, Michel J.,Hao, Ming-Hong,Hickey, Eugene,Liu, Weimin,Patel, Usha,Ward, Yancey D.,Young, Erick R.R.,Nelson, Richard,Kukulka, Alison,Brown, Maryanne L.,Crane, Kathy,White, Della,Freeman, Dorothy M.,Labadia, Mark E.,Wildeson, Jessi,Spero, Denice M.

, p. 2465 - 2469 (2008/03/11)

The synthesis and in vitro activities of a series of succinyl-nitrile-based inhibitors of Cathepsin S are described. Several members of this class show nanomolar inhibition of the target enzyme as well as cellular potency. The inhibitors displaying the greatest potency contain N-alkyl substituted piperidine and pyrrolidine rings spiro-fused to the α-carbon of the P1 residue.

2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF

-

Page/Page column 36, (2010/02/08)

The invention relates to pyrrolo pyrimidines of formula (I), wherein Y represents -(CH2)t-O- or -(CH2)r-S-, p is 1 or 2, r is 1, 2 or 3, t is 1, 2 or 3, or Y is -(CH2)j- or -CH=CH-, j is 1 or 2; p is 1 or 2, or Y is -(CH2)f-, f is 1 or 2, p is 1, and the further radicals and symbols have the meaning as defined herein; their preparation, their use as pharmaceuticals, pharmaceutical compositions containing them, the use of such a compound for the manufacture of a pharmaceutical preparation for the treatment of neuropathic pain and to a method for the treatment of such a disease in animals, especially in humans.

Photochemical synthesis of highly functionalized cyclopropyl ketones

Wessig, Pablo,Muehling, Olaf

, p. 865 - 893 (2007/10/03)

A series of di- and trisubstituted cyclopropyl ketones 11 were prepared by irradiation of ketones 3 and 5, which bear a leaving group adjacent to the carbonyl C-atom. The required ketones 3 could be easily synthesized either by functionalization of ketones 1 with a hypervalent iodine reagent, 2, or by O-sulfonylation of α-hydroxy ketones 7. The nitrates 5 were obtained by treatment of the corresponding α-bromo ketones with AgNO3. The irradiation of 3 and 5 must be performed in the presence of an acid scavenger (1-methyl-1H-imidazole) to obtain the cyclopropanes 11 in good yields. The synthetic efficiency of the method was, among other things, demonstrated by the preparation of a highly strained bicyclo[2.1.0]pentane 11i in good yield. The mechanism of the photochemical cyclization was investigated by means of photokinetic measurements, as well as by quantum-chemical calculations. It was shown that the presence of the leaving group substantially influences all steps of the photochemical reaction cascade. The X-ray crystal structures of 11j and exo-11k were also determined.

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