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2-Benzyl-2-methylpropane-1,3-diol is a complex organic compound with the molecular formula C12H18O2. It is a colorless liquid at room temperature and is soluble in water. 2-benzyl-2-methylpropane-1,3-diol is characterized by a propane backbone with a benzyl group attached to the second carbon and a methyl group attached to the same carbon, forming a quaternary carbon center. The 1,3-diol functional group indicates the presence of two hydroxyl groups, one on each terminal carbon of the propane chain. This structure endows the compound with unique chemical properties, making it a potential intermediate in the synthesis of various pharmaceuticals and other organic compounds. Its specific applications and reactivity depend on the functional groups present and the overall molecular structure, which can influence its solubility, stability, and potential reactions with other chemicals.

2109-99-1

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2109-99-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2109-99-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,1,0 and 9 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 2109-99:
(6*2)+(5*1)+(4*0)+(3*9)+(2*9)+(1*9)=71
71 % 10 = 1
So 2109-99-1 is a valid CAS Registry Number.

2109-99-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-benzyl-2-methylpropane-1,3-diol

1.2 Other means of identification

Product number -
Other names 2-Benzyl-2-methyl-propan-1,3-diol

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:2109-99-1 SDS

2109-99-1Relevant academic research and scientific papers

Esters of 2,5-multisubstituted-1,3-dioxane-2-carboxylic acid: their conformational analysis and selective hydrolysis

Harabe, Tetsuji,Matsumoto, Takatoshi,Shioiri, Takayuki

experimental part, p. 4044 - 4052 (2009/10/02)

The carbomethoxy group at the C2 position of the 2,5-multisubstituted 1,3-dioxanes prefers the axial conformation rather than the equatorial one due to an anomeric effect. The trans isomers of the 5-monosubstituted compounds are more selectively hydrolyzed than the cis isomers. Based on the calculated results, hydrolysis to the trans isomers is attributed to the larger carbonyl charges of the trans than those of the cis isomers. The anomeric and homoanomeric effects will explain the axial preference of the carbomethoxy group and selective hydrolysis to the trans isomers. Furthermore, the calculated stability between the cis and trans isomers is in good agreement with the experimental results in the equilibrium state.

Synthesis and evaluation of α,α -disubstituted-3-mercaptopropanoic acids as inhibitors for carboxypeptidase A and implications with respect to enzyme inhibitor design

Lee, Hyun Soo,Kim, Dong H.

, p. 4685 - 4691 (2007/10/03)

2-Ethyl-2-methyl-3-mercaptopropanoic acid (6) and 2-benzyl-2-methyl-3-mercaptopropanoic acid (7) were synthesized and evaluated as inhibitors for carboxypeptidase A (CPA), a prototypical zinc protease with the expectation that the binding affinities of these inhibitors would be augmented over those of 2-ethyl-3-methylsuccinic acid (2) and 2-benzyl-3-methylsuccinic acid (3), respectively, in light of the fact that the sulfhydryl group is a better zinc coordinating moiety than the carboxylate group. Contrary to the expectation, however, the inhibitory potency of 6 was not improved and that of 7 was rather attenuated by the replacement. A probable explanation for the unexpected results is offered.

Tethered α-boryl radical cyclizations of haloalkyl boronates

Batey, Robert A.,Smil, David V.

, p. 9183 - 9187 (2007/10/03)

Boroalkyl radicals readily cyclize onto alkenyl and alkynyl traps tethered via a C-B-O linkage. Oxidative cleavage of the C-B bond of the temporary connection following cyclization affords 1,3-diols in good yields.

Synthesis of substituted cyclopropanes from 1,3-diols through the corresponding cyclic sulfates

Guijarro, David,Yus, Miguel

, p. 11445 - 11456 (2007/10/02)

The reaction of different cyclic sulfates 2 (easily prepared from the corresponding 1,3-diols 1 following the Sharpless methodology) with an excess of lithium powder and a catalytic amount of DTBB (5 mol %) leads to the corresponding substituted cyclopropanes 3 through a γ-elimination process, the sulfate ion acting as leaving group.

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