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2-Cyclohexen-1-one, 2-hydroxy-3-methyl-, also known as 3-methyl-2-hydroxycyclohexenone or 3-methyl-2-oxocyclohexane-1-ol, is an organic compound with the molecular formula C7H12O2. It is a colorless to pale yellow liquid with a molecular weight of 128.17 g/mol. This chemical is characterized by a cyclohexenone ring structure, featuring a hydroxyl group at the 2-position and a methyl group at the 3-position. It is used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and fragrances. Due to its reactive nature, it is typically handled under controlled conditions to prevent unwanted side reactions.

3400-78-0

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3400-78-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 3400-78-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,4,0 and 0 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 3400-78:
(6*3)+(5*4)+(4*0)+(3*0)+(2*7)+(1*8)=60
60 % 10 = 0
So 3400-78-0 is a valid CAS Registry Number.

3400-78-0SDS

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-hydroxy-3-methyl-2-cyclohexen-1-one

1.2 Other means of identification

Product number -
Other names 2-hydroxy-3-methylcyclohex-2-enone

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:3400-78-0 SDS

3400-78-0Relevant academic research and scientific papers

Preparation of Optically Active (4aα,8aβ)-Octahydro-4a-methyl-8-methylene-2(1H)-naphthalenone, a Key Intermediate for the Enantioselective Synthesis of Eudesmane Sesquiterpenes

Utaka, Masanori,Fujii, Yasuyuki,Takeda, Akira

, p. 1103 - 1104 (1986)

The titled optically active methylene ketone was prepared in 45percent ee from 3-methyl-1,2-cyclohexanedione by use of a novel asymmetric Michael addition with (R,R)-(-)-2,3-butanediol as chiral auxiliary.

Practical preparation of diosphenols by ring opening of α,β-epoxyketones catalyzed by silica gel supported acids

Zhu, Rui,Xing, Lixin,Wang, Xinyan,Cheng, Chuanjie,Liu, Bo,Hu, Yuefei

, p. 2267 - 2271 (2008/02/09)

The mixed acid (H2SO4-HOAc) catalyzed ring opening of α,β-epoxyketone was the most used method for the preparation of diosphenols, but it seriously suffered from poor yields and tedious workup operations. By using silica gel supported mixed acid (H2SO 4-HOAc), a variety of α,β-epoxyketones were converted into the corresponding diosphenols in unprecedented high yields within a few minutes. Georg Thieme Verlag Stuttgart.

Samarium diiodide-promoted intramolecular ketone-ester coupling reaction: Novel cyclization and ring expansion pathway

Iwaya, Kazuki,Nakamura, Momoe,Hasegawa, Eietsu

, p. 5067 - 5070 (2007/10/03)

When ethyl 2-substituted-1-indanone-2-carboxylates were treated with samarium diiodide (SmI2), ring expansion products such as 3-substituted-1,2-naphthoquinones were isolated. Alcohols were also obtained as the mixture of cis- and trans-isomers of hydroxy and ester substituents. A reaction mechanism involving intramolecular addition of samarium ketyl radicals to ester substituents followed by ring expansion was proposed for the formation of the one-carbon homologated products. Similarly, reaction of ethyl 1-substituted-2-oxo-1-cyclopentanecarboxylates with SmI2 produced 3-substituted-2-hydroxy-2-cyclohexenones along with the corresponding alcohols.

Conversion of α,β-epoxyketones to diosphenols using 6-methyl-2-pyridone anion as an hydroxide equivalent

Ponaras,Meah

, p. 9031 - 9035 (2007/10/03)

Treatment of α,β-epoxyketones with 6-methyl-2-pyridone anion gives diosphenol (6-methyl-2-pyridyl) ethers that can be cleaved to diosphenols under mild basic conditions. (C) 2000 Elsevier Science Ltd.

A tandem Horner-Emmons olefination-gonjugate addition approach to the synthesis of 1,5-Disubstituted-6-azabicyclo[3.2.1]octanes based on the AE ring structure of the norditerpenoid alkaloid methyllycaconitine

Callis, David J.,Thomas, Noel F.,Pearson, David P. J.,Potter, Barry V. L.

, p. 4634 - 4640 (2007/10/03)

A novel Horner-Emmons olefination conjugate addition reaction of N-acetylamides to form 1,5-disubstituted-6-azabicyclo[3.2.1]octanes with two bridgehead quarternary carbon centers is reported. This reaction is a key step in an approach to the synthesis of small ring analogues based on the AE ring structure of the Delphinium norditerpenoid, methyllycaconitine (MLA) (1). Initially, 3-(hydroxymethyl)cyclohex-2-en-1-one (10) was selected as the starting material to these structures, but its generation proved inefficient. In contrast, the synthesis of 3-[(phenylthio)methyl]cyclohex-2-en-1-one (6) and 3-(1,3-dithian-2-yl)cyclohex-2-en-1-one (11) proceeded in good yield. Subsequent hydrocyanation, ketalization, reduction, acetylation, deprotection of the acetal, and Horner-Emmons olefination-conjugate addition reaction to form 1-[(phenylthio)methyl]-5-[(ethoxycarbonyl)methyl]-6-acetamido-6-azabicyclo[3.2. 1]octane(28), 1-(1,3-dithian-2-yl)-5-[(ethoxycarbonyl)methyl]-6-acetyl-6-azabicyclo[3.2.1] octane (29), respectively, are reported, as well as for readily available 3-methylcyclohex-2-en-1-one (12). Studies on the Pummerer rearrangement of 28 and subsequent desulfurization and reduction to form an hydroxymethyl-substituted azabicyclo[3.2.1.]octane (40) and then selective protection to form a protected hydroxyethyl N-ethyl (hydroxymethyl)azabicyclo-[3.2.1]octane (3) are also described.

Conjugate addition of lithium diorganocuprate reagents to the enol tosylate of a 1,2-diketone

Charonnat,Mitchell,Keogh

, p. 315 - 318 (2007/10/02)

The conjugate addition of lithium diorganocuprate reagents to the enol tosylate of 1,2-cyclohexanedione has been investigated. The intermediate enolates eliminate para-toluenesulfinate ion to generate the alkylated 1,2-dicarbonyl system.

A New Synthesis of 3-Alkyl-1,2-cyclohexanediones from 2-Alkylcyclohexanones Using Iodine/Copper(II) Acetate

Horiuchi, C. Akira,Kiyomiya, Hiroshi,Takahashi, Masaaki,Suzuki, Yasuto

, p. 785 - 786 (2007/10/02)

The reactions of 2-alkyl-, 2,5-dimethyl-, and 3,3,5-trimethylcyclohexanone with iodine/copper(II) acetate in boiling aqueous acetic acid gave the respective 3-alkyl-, 3,6-dimethyl-, and 3,5,5-trimethyl-1,2-cyclohexanediones in 40-70percent yields.This new

Reactions of Diethoxytriphenylphosphorane with Diastereoisomeric 3-Methylcyclohexane-1,2-diols. Control of Regioselectivity by Methyl Substitution during Cyclodehydration and Rearrangement of 1,2-Diols

Robinson, Philip L.,Evans, Slayton A.

, p. 3860 - 3863 (2007/10/02)

The diastereoisomeric 3-methylcyclohexane-trans-1,2-diols undergo cyclodehydration with diethoxytriphenylphosphorane (DTPP) to afford the cis- and trans-3-methylcyclohexene oxides.The ratio of cis and trans epoxides is best explained by assuming preferential phosphoranylation of the C1 hydroxyl group followed by " 3-exo-tet " alkoxide displacement of triphenylphosphine oxide.The diastereoisomers of 3-methylcyclohexane-cis-1,2-diol afford stable ? -dioxyphosphoranes when allowed to react with DTPP.These 1,3,2-dioxaphosphoranes were subjected to flash thermolysis ( 300 deg C ) conditions and afforded the isomeric 2- and 3-methylcyclohexanones via a 1,2-hydride shift.

CONVENIENT PREPARATION OF 1,2-CYCLOHEXANEDIONES

Utaka, Masanori,Matsushita, Seishiro,Takeda, Akira

, p. 779 - 780 (2007/10/02)

1,2-Cyclohexanedione and 3-alkyl-1,2-cyclohexanediones were prepared in good to excellent yields from the corresponding 2,6-dibromocyclohexanones by treatment with aqueous NaOH.

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