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1,3-Propanediol, mono(4-methylbenzenesulfonate) is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 81842-71-9 Structure
  • Basic information

    1. Product Name: 1,3-Propanediol, mono(4-methylbenzenesulfonate)
    2. Synonyms:
    3. CAS NO:81842-71-9
    4. Molecular Formula: C10H14O4S
    5. Molecular Weight: 230.285
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 81842-71-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1,3-Propanediol, mono(4-methylbenzenesulfonate)(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1,3-Propanediol, mono(4-methylbenzenesulfonate)(81842-71-9)
    11. EPA Substance Registry System: 1,3-Propanediol, mono(4-methylbenzenesulfonate)(81842-71-9)
  • 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: 81842-71-9(Hazardous Substances Data)

81842-71-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 81842-71-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,1,8,4 and 2 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 81842-71:
(7*8)+(6*1)+(5*8)+(4*4)+(3*2)+(2*7)+(1*1)=139
139 % 10 = 9
So 81842-71-9 is a valid CAS Registry Number.

81842-71-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-methylbenzenesulfonic acid, 3-hydroxypropyl ester

1.2 Other means of identification

Product number -
Other names 3-hydroxypropyl 4-methylbenzenesulfonate

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:81842-71-9 SDS

81842-71-9Relevant articles and documents

Nickel-catalyzed reductive monofluoroakylation of alkyl tosylate with bromofluoromethane to primary alkyl fluoride

Cui, Ru,Hu, Duo-Duo,Sheng, Jie,Wang, Xi-Sheng,Wu, Bing-Bing,Zheng, Hong-Qian

supporting information, p. 9084 - 9087 (2021/09/14)

A nickel-catalysed direct terminal monofluoromethlyation between alkyl tosylates and a low-cost, industrial raw material bromofluoromethane has been developed. This transformation has demonstrated high efficiency, mild conditions, and good functional-grou

Erbium-Catalyzed Regioselective Isomerization-Cobalt-Catalyzed Transfer Hydrogenation Sequence for the Synthesis of Anti-Markovnikov Alcohols from Epoxides under Mild Conditions

Liu, Xin,Longwitz, Lars,Spiegelberg, Brian,T?njes, Jan,Beweries, Torsten,Werner, Thomas

, p. 13659 - 13667 (2020/11/30)

Herein, we report an efficient isomerization-transfer hydrogenation reaction sequence based on a cobalt pincer catalyst (1 mol %), which allows the synthesis of a series of anti-Markovnikov alcohols from terminal and internal epoxides under mild reaction conditions (≤55 °C, 8 h) at low catalyst loading. The reaction proceeds by Lewis acid (3 mol % Er(OTf)3)-catalyzed epoxide isomerization and subsequent cobalt-catalyzed transfer hydrogenation using ammonia borane as the hydrogen source. The general applicability of this methodology is highlighted by the synthesis of 43 alcohols from epoxides. A variety of terminal (23 examples) and 1,2-disubstituted internal epoxides (14 examples) bearing different functional groups are converted to the desired anti-Markovnikov alcohols in excellent selectivity and yields of up to 98%. For selected examples, it is shown that the reaction can be performed on a preparative scale up to 50 mmol. Notably, the isomerization step proceeds via the most stable carbocation. Thus, the regiochemistry is controlled by stereoelectronic effects. As a result, in some cases, rearrangement of the carbon framework is observed when tri-and tetra-substituted epoxides (6 examples) are converted. A variety of functional groups are tolerated under the reaction conditions even though aldehydes and ketones are also reduced to the respective alcohols under the reaction conditions. Mechanistic studies and control experiments were used to investigate the role of the Lewis acid in the reaction. Besides acting as the catalyst for the epoxide isomerization, the Lewis acid was found to facilitate the dehydrogenation of the hydrogen donor, which enhances the rate of the transfer hydrogenation step. These experiments additionally indicate the direct transfer of hydrogen from the amine borane in the reduction step.

Regioselective Sulfonylation/Acylation of Carbohydrates Catalyzed by FeCl3 Combined with Benzoyltrifluoroacetone and Its Mechanism Study

Dong, Hai,Liu, Yu,Lv, Jian,Zhu, Jia-Jia

, p. 3307 - 3319 (2020/03/25)

A catalytic amount of FeCl3 combined with benzoyl trifluoroacetone (Hbtfa) (FeCl3/Hbtfa = 1/2) was used to catalyze sulfonylation/acylation of diols and polyols using diisopropylethylamine (DIPEA) or potassium carbonate (K2CO3) as a base. The catalytic system exhibited high catalytic activity, leading to excellent isolated yields of sulfonylation/acylation products with high regioselectivities. Mechanism studies indicated that FeCl3 initially formed [Fe(btfa)3] (btfa = benzoyl trifluoroacetonate) with twice the amount of Hbtfa under basic conditions in the solvent acetonitrile at room temperature. Then, Fe(btfa)3 and two hydroxyl groups of the substrates formed a five- or six-membered ring intermediate in the presence of the base. The subsequent reaction between the cyclic intermediate and a sulfonylation reagent led to the selective sulfonylation of the substrate. All key intermediates were captured in the high-resolution mass spectrometry assay, therefore demonstrating this mechanism for the first time.

BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY

-

Paragraph 0287-0291, (2020/08/28)

The present invention relates to compounds useful for degrading BTK via a ubiquitin proteolytic pathway. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders.

The synthesis of precursor of FP- (+) DTBZ

Wu, Caijiao,Li, Hui,Sun, Feiyang,Bao, Changshun,Bao, Xuefei,Chen, Guoliang

, p. 3218 - 3225 (2019/09/13)

A synthetic route to the precursor of FP- (+) DTBZ was disclosed, in which 3-hydroxy-4-methoxybenzaldehyde was employed as a starting material. In the method, the benzyl-protecting protocol and the in-situ Diels-Alder reaction made the procedure more practical because of the mild conditions for selectively deprotection and the accelerated reaction process.

COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE

-

Paragraph 1106, (2018/07/15)

The present disclosure relates to bifunctional compounds, which find utility as modulators of enhancer of zeste homolog 2 (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a Von Hippel-Lindau, cereblon, Inhibitors of Apotosis Proteins or mouse double-minute homolog 2 ligand which binds to the respective E3 ubiquitin ligase and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

Mivacurium chloride intermediate and method for synthesizing Mivacurium Chloride using mivacurium chloride intermediate

-

Paragraph 0048; 0049; 0050, (2018/09/29)

The invention belongs to the technical field of synthesis of pharmaceutical compounds, and particularly discloses an improved Mivacurium Chloride intermediate suitable for industrial production and amethod for synthesizing Mivacurium Chloride using the mi

A Library of Fluorinated Electrophiles for Chemical Tagging and Materials Synthesis

Kasper, Jonathan J.,Hitro, Jamie E.,Fitzgerald, Sabrina R.,Schnitter, Joseph M.,Rutowski, James J.,Heck, John A.,Steinbacher, Jeremy L.

, p. 8095 - 8103 (2016/10/03)

Various applications could benefit from new fluorinated molecules that offer chemical handles for quickly functionalizing reactive surfaces and molecules. Herein, we report the synthesis of a library of fluorinated molecules that contain nonafluoro-tert-butyl groups and electrophilic handles, mostly acrylates and acrylamides. Featuring a variety of hydrophobic and hydrophilic linkers, these molecules could find use in polymer chemistry, biomaterials, biomedical imaging, and protein tagging.

Synthesis and Characterization of Constitutionally Isomeric Oriented Calix[6]arene-Based Rotaxanes

Zanichelli, Valeria,Ragazzon, Giulio,Arduini, Arturo,Credi, Alberto,Franchi, Paola,Orlandini, Guido,Venturi, Margherita,Lucarini, Marco,Secchi, Andrea,Silvi, Serena

, p. 1033 - 1042 (2016/03/01)

Oriented rotaxanes composed of tris(N-phenylureido)calix[6]arene wheel 1 and N,N′-dialkyl viologen-based axles were synthesized in which the span between the diphenylacetyl stoppers at the wheel upper and lower rim and the bis-pyridinium cation portion of

Novel fluoroalkyl derivatives of selective kappa opioid receptor antagonist JDTic: Design, synthesis, pharmacology and molecular modeling studies

Schmitt, Sébastien,Colloc'H, Nathalie,Perrio, Cécile

, p. 742 - 750 (2015/04/14)

Novel N-and O-fluoroalkyl derivatives of the highly potent KOR antagonist JDTic were designed and synthesized. Their opioid receptor properties were compared in both in vitro binding assays and modeling approach. All compounds displayed nanomolar affiniti

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