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2-Ethylpropane-1,3-diol is an organic compound with the chemical formula C5H12O2. It is a colorless liquid with a slight odor and is soluble in water. It is also known as 2-ethyl-1,3-propanediol or 2-ethylpropane-1,3-diyl diethanol.

2612-29-5

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2612-29-5 Usage

Uses

Used in Pharmaceutical Industry:
2-Ethylpropane-1,3-diol is used as an intermediate in the synthesis of Peloruside A related compounds, which are novel antimitotic agents with Paclitaxel (P132500)-like microtubule-stabilizing activity. These compounds have potential applications in the development of new cancer therapies.
Used in Chemical Synthesis:
2-Ethylpropane-1,3-diol can be used as a building block in the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure allows for the formation of diverse products through chemical reactions.
Used in Solvent Applications:
Due to its solubility in water and other solvents, 2-ethylpropane-1,3-diol can be used as a solvent in various industrial processes, such as in the production of coatings, adhesives, and sealants.
Used in Fuel Additives:
2-Ethylpropane-1,3-diol can be used as a fuel additive to improve the performance and efficiency of fuels in internal combustion engines. It can also be used as a component in the production of biofuels.
Used in Personal Care Products:
2-Ethylpropane-1,3-diol can be used as a humectant in personal care products, such as cosmetics, lotions, and creams, to help retain moisture and improve the texture of the products.

Check Digit Verification of cas no

The CAS Registry Mumber 2612-29-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,6,1 and 2 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 2612-29:
(6*2)+(5*6)+(4*1)+(3*2)+(2*2)+(1*9)=65
65 % 10 = 5
So 2612-29-5 is a valid CAS Registry Number.
InChI:InChI=1/C5H12O2/c1-2-5(3-6)4-7/h5-7H,2-4H2,1H3

2612-29-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-ethylpropane-1,3-diol

1.2 Other means of identification

Product number -
Other names 2-(hydroxymethyl)butan-1-ol

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:2612-29-5 SDS

2612-29-5Relevant academic research and scientific papers

INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD)

-

Paragraph 00234; 00316; 00793, (2021/10/11)

Indole derivatives as alpha-l-antitrypsin modulators for treating alpha-l-antitrypsin deficiency (AATD).

Synthesis method of 2-alkyl-1,3-propylene glycol compound

-

, (2020/05/01)

The invention discloses a synthesis method of a 2-alkyl-1,3-propylene glycol compound. The method comprises the following steps: step 1, with 2-alkylacrolein 1D as a raw material, subjecting 2-alkylacrolein 1D and an alcohol compound 1E to an addition reaction under the action of a catalyst to obtain a beta-aldehyde ether intermediate 1F, wherein the catalyst is selected from the group consistingof a 3,4-di(formic ether)-phthalimide compound 1A, 5-formic ether-2,3-naphthalimide compound 1B and a 5,8-di(formic ether)-2,3-naphthalimide compound 1C; and step 2, sequentially carrying out catalytic hydrogenation and ether bond protecting group removal on the intermediate 1F to obtain the 2-alkyl-1,3-propylene glycol compound. According to the method, the raw materials are cheap and easy to obtain, the catalyst can be recycled, reaction conditions are mild, yield reaches up to 70% or above, and cost is greatly reduced.

SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY

-

Page/Page column 537, (2019/05/10)

In one aspect, compounds of Formula AA, or a pharmaceutically acceptable salt thereof, are featured: wherein the variables shown in Formula AA can be as defined anywhere herein. Compounds AA are modulators of NLRP1 and/or NLRP3

CHEMICAL COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY

-

Paragraph 00882; 00883, (2018/08/12)

The present disclosure relates to novel sulfonylurea and sulfonyl thiourea compounds and related compounds and their use in treating a disease or condition responsive to modulation of cytokines such as IL-1β and IL-18, modulation of NLRP3 or inhibition of the activation of NLRP3 or related components of the inflammatory process.

Synthesis of Enantiomerically Enriched 2-Hydroxymethylalkanoic Acids by Oxidative Desymmetrisation of Achiral 1,3-Diols Mediated by Acetobacter aceti

Brenna, Elisabetta,Cannavale, Flavia,Crotti, Michele,De Vitis, Valerio,Gatti, Francesco G.,Migliazza, Gaia,Molinari, Francesco,Parmeggiani, Fabio,Romano, Diego,Santangelo, Sara

, p. 3796 - 3803 (2016/12/24)

The stereoselective desymmetrisation of achiral 2-alkyl-1,3-diols is performed by oxidation of one of the two enantiotopic primary alcohol moieties by means of Acetobacter aceti MIM 2000/28 to afford the corresponding chiral 2-hydroxymethyl alkanoic acids (up to 94 % ee). The procedure, carried out in aqueous medium under mild conditions of pH, temperature and pressure, contributes to enlarge the portfolio of enzymatic oxidations available to organic chemists for the development of sustainable manufacturing processes.

Collective synthesis of 4-hydroxy-2-pyridone alkaloids and their antiproliferation activities

Ding, Feiqing,Leow, Min Li,Ma, Jimei,William, Ronny,Liao, Hongze,Liu, Xue-Wei

supporting information, p. 2548 - 2554 (2014/10/15)

A collective synthesis of 4-hydroxy-2-pyridone alkaloids - specifically, pretenellin B, prebassianin B, farinosone A, militarione D, pyridovericin, and torrubiellone C - has been achieved. Key steps include using a strategic convergent method to synthesize the densely substituted pyridone key intermediate by Suzuki-Miyaura cross-coupling reaction, a divergent synthesis approach of target molecules by aldol condensation of pyridone intermediate with homologous aldehydes, and an iterative synthesis of homologous aldehydes with all-trans-polyene backbones. Interestingly, among the six tumor cell lines investigated, torrubiellone C was found to induce potent and apoptotic inhibitory activities on Jurkat T cells with IC50 values of 7.05 μM. Hence, this approach could potentially contribute to the synthesis of bioactive small-molecule libraries as well as drug discovery.

Convergent strategy towards the synthesis of restricted analogues of peloruside A

Zimmermann, Nicolas,Pinard, Pierre,Carboni, Bertrand,Gosselin, Pascal,Gaulon-Nourry, Catherine,Dujardin, Gilles,Collet, Sylvain,Lebreton, Jacques,Mathe-Allainmat, Monique

, p. 2303 - 2315 (2013/05/09)

A rapid convergent strategy to access unsaturated analogues of peloruside A has been demonstrated. This is depicted as an original C11-C12 aldol connection between a C12-C20 ketone fragment and a C2-C11 pyran fragment bearing an aldehyde function, with high yield and a good level of diastereoselectivity. The desired unsaturated macrocycle was obtained by a late-stage ring closing metathesis reaction.

Total synthesis of (-)-18-epi-peloruside A: An alkyne linchpin strategy

Trost, Barry M.,Michaelis, David J.,Malhotra, Sushant

supporting information, p. 5274 - 5277 (2013/11/06)

A convergent synthetic route toward cytotoxic agent peloruside A that hinges on the use of an alkyne linchpin to assemble the natural product is described. Other highlights of this synthesis include an asymmetric desymmetrization reaction of a 1,3-diol, a one-pot conversion of a dibromoolefin to a stereodefined enone, and a diastereoselective aldol condensation. Misassignment of the absolute stereochemistry of the C18 stereocenter in our synthesis provided the natural product epimeric at the C18 ethyl stereocenter.

A stereoselective synthesis of the C9-C19 subunit of (+)-peloruside A

Raghavan, Sadagopan,Vinoth Kumar

supporting information, p. 2847 - 2858 (2013/05/08)

The stereoselective synthesis of a C9-C19 fragment of the potent antitumor agent peloruside A is disclosed. The C11 stereogenic centre was created by a vinylogous Mukaiyama aldol reaction following Carreira's protocol, with excellent stereocontrol. The C13 stereogenic centre was introduced by a substrate controlled reduction. The C15 stereocentre was fashioned using Noyori's asymmetric transfer hydrogenation while the Z-trisubstituted double bond was formed by a regioselective hydrostannation of an alkyne followed by methylation of the resultant vinyl stannane using Lipshutz's protocol. The C18 chiral centre was introduced by a chemoenzymatic route.

Non-canonical regioisomerizations and a 'Diels-Alderase' are likely essential in the biosynthesis of Spiculoic acid A

Pinto, Atahualpa,Boddy, Christopher N.

supporting information; experimental part, p. 5253 - 5256 (2012/09/07)

The regiochemistry of dehydration and cyclization steps of the linear biosynthetic precursor of the polyketide natural product Spiculoic acid A (1) were examined. Herein we describe the synthesis of polyene-containing aldehyde 21, a counterpart to the metabolite's putative polyketide intermediate and demonstrate its inability to undergo facile IMDA chemistry. These results suggest the involvement of a non-canonical regioisomerization in the biosynthesis of 1, and that the IMDA reaction is likely enzyme-catalyzed.

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