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METHYL 2-METHOXYCARBONYL-3-(4-METHOXYPHENYL)-4-NITROBUTANOATE is a chemical compound with the molecular formula C13H17NO7. It is a nitro compound that contains a methoxy group and a carbonyl group. This chemical is commonly used as a building block in organic synthesis and pharmaceutical research. It is also used in the production of various pharmaceuticals and agrochemicals. METHYL 2-METHOXYCARBONYL-3-(4-METHOXYPHENYL)-4-NITROBUTANOATE is a yellow solid with a molecular weight of 295.28 g/mol and a melting point of 82-84°C.

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  • 100719-44-6 Structure
  • Basic information

    1. Product Name: METHYL 2-METHOXYCARBONYL-3-(4-METHOXYPHENYL)-4-NITROBUTANOATE
    2. Synonyms: METHYL 2-METHOXYCARBONYL-3-(4-METHOXYPHENYL)-4-NITROBUTANOATE
    3. CAS NO:100719-44-6
    4. Molecular Formula: C14H17NO7
    5. Molecular Weight: 311.29
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 100719-44-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 442.5°C at 760 mmHg
    3. Flash Point: 182.3°C
    4. Appearance: /
    5. Density: 1.246g/cm3
    6. Vapor Pressure: 5.01E-08mmHg at 25°C
    7. Refractive Index: 1.514
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: METHYL 2-METHOXYCARBONYL-3-(4-METHOXYPHENYL)-4-NITROBUTANOATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL 2-METHOXYCARBONYL-3-(4-METHOXYPHENYL)-4-NITROBUTANOATE(100719-44-6)
    12. EPA Substance Registry System: METHYL 2-METHOXYCARBONYL-3-(4-METHOXYPHENYL)-4-NITROBUTANOATE(100719-44-6)
  • 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: 100719-44-6(Hazardous Substances Data)

100719-44-6 Usage

Uses

Used in Organic Synthesis:
METHYL 2-METHOXYCARBONYL-3-(4-METHOXYPHENYL)-4-NITROBUTANOATE is used as a building block in organic synthesis for the creation of various chemical compounds.
Used in Pharmaceutical Research:
METHYL 2-METHOXYCARBONYL-3-(4-METHOXYPHENYL)-4-NITROBUTANOATE is used as a research compound in the development of new pharmaceuticals.
Used in Pharmaceutical Production:
METHYL 2-METHOXYCARBONYL-3-(4-METHOXYPHENYL)-4-NITROBUTANOATE is used as a key component in the production of various pharmaceuticals.
Used in Agrochemical Production:
METHYL 2-METHOXYCARBONYL-3-(4-METHOXYPHENYL)-4-NITROBUTANOATE is used as a key component in the production of various agrochemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 100719-44-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,0,7,1 and 9 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 100719-44:
(8*1)+(7*0)+(6*0)+(5*7)+(4*1)+(3*9)+(2*4)+(1*4)=86
86 % 10 = 6
So 100719-44-6 is a valid CAS Registry Number.
InChI:InChI=1/C14H17NO7/c1-20-10-6-4-9(5-7-10)11(8-15(18)19)12(13(16)21-2)14(17)22-3/h4-7,11-12H,8H2,1-3H3

100719-44-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name dimethyl 2-[1-(4-methoxyphenyl)-2-nitroethyl]propanedioate

1.2 Other means of identification

Product number -
Other names HMS2385E12

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:100719-44-6 SDS

100719-44-6Downstream Products

100719-44-6Relevant articles and documents

A thiourea-functionalized metal-organic macrocycle for the catalysis of Michael additions and prominent size-selective effect

Yang, Lu,Zhao, Liang,Zhou, Zhen,He, Cheng,Sun, Hui,Duan, Chunying

, p. 4086 - 4092 (2017/03/30)

A discrete tetranuclear thiourea-based metal-organic macrocycle (MOM) with a large size was constructed by a well-designed organic ligand and nickel(ii) ions via self-assembly. Incorporating thiourea groups as hydrogen-bond donors into a metal-organic com

Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions

Bécart, Diane,Diemer, Vincent,Salaün, Arnaud,Oiarbide, Mikel,Nelli, Yella Reddy,Kauffmann, Brice,Fischer, Lucile,Palomo, Claudio,Guichard, Gilles

supporting information, p. 12524 - 12532 (2017/09/23)

Substantial progress has been made toward the development of metal-free catalysts of enantioselective transformations, yet the discovery of organic catalysts effective at low catalyst loadings remains a major challenge. Here we report a novel synergistic

Urea derivative or pharmacologically acceptable salt thereof

-

Paragraph 0313; 0314; 0330; 0331, (2016/10/08)

To provide a compound having a formyl peptide receptor-like 1 (FPRL1) agonist effect. The present invention relates to a compound represented by general formula (I) or a pharmacologically acceptable salt thereof. The present invention also relates to a pharmaceutical composition which comprises the compound represented by general formula (I) or the pharmacologically acceptable salt thereof, and pharmaceutical use thereof.

Iodine-promoted synthesis of 3-arylindolizine-1-carboxylates from 2-(2-nitro-1-arylethyl)malonates and pyridine

Li, Yun,Zhou, Zhengquan,Ye, Weijian,Liu, Juanjuan,Yao, Juan,Wang, Cunde

, p. 526 - 530 (2013/10/22)

An efficient and straightforward one-pot synthetic protocol has been developed for the synthesis of 3-arylindolizine- 1-carboxylates via 1,3-dipolar annulation of 2-(2-nitro-1-arylethyl)malonates with pyridine and subsequent aromatisation in the presence of molecular iodine. The structure of methyl 3-(4-methoxyphenyl)indolizine-1-carboxylate (2a) and methyl 3-iodo-2-(4- nitrophenyl)indolizine-1-carboxylate (2f) was further confirmed by X-ray single crystal analysis. Website

An expedient and green protocol for the Michael addition of malonates, diketones and p-keto esters to the nitrostyrenes

Agarwal, Jyoti,Naganaboina, Ram Tilak,Peddinli, Rama Krishna

, p. 511 - 518 (2013/06/05)

A novel methodology has been developed for the rapid synthesis of functionalized nitroalkanes by the addition of less reactive carbon nucleophiles such as malonate esters, acetylacetone and ethyl acetoacetate to various r/ms-p-nitrostyrenes under solvent-

Immobilization of 1,5,7-triazabicyclo [4.4.0] dec-5-ene over mesoporous materials: An efficient catalyst for Michael-addition reactions under solvent-free condition

Kalita, Pranjal,Kumar, Rajiv

experimental part, p. 250 - 258 (2012/01/05)

Immobilization of 1,5,7-triazabicyclo [4.4.0] dec-5-ene (TBD, a bicylic guanidine base) over mesoporous material like SBA-15 has been found to be an excellent catalyst for Michael-addition of β-nitro styrene with malonate. The reactions were performed und

Highly enantioselective Michael addition of malonates to nitroolefins catalyzed by chiral bifunctional tertiary amine-thioureas based on saccharides

Li, Xiao-Juan,Liu, Kun,Ma, Hai,Nie, Jing,Ma, Jun-An

scheme or table, p. 3242 - 3246 (2009/06/25)

A series of saccharide-derived bifunctional tertiary amine-thioureas for the asymmetric Michael addition reaction have been designed and synthesized. The addition products between malonates and various nitroolefins were obtained in high yields (up to 99%)

Mechanism and application of a microcapsule enabled multicatalyst reaction

Poe, Sarah L.,Kobaslija, Muris,McQuade, D. Tyler

, p. 9216 - 9221 (2008/02/11)

In this paper, we describe the development and application of a multistep one-pot reaction that is made possible by the site isolation of two otherwise incompatible catalysts. We prepared a microencapsulated amine catalyst by interfacial polymerization and used it in conjunction with a nickel-based catalyst for the transformation of an aldehyde to a Michael adduct via a nitroalkene intermediate. The amine-catalyzed conversion of an aldehyde to a nitroalkene was found to proceed through an imine rather than a nitroalcohol. Kinetic studies indicated that the reaction is first order in both the nickel catalyst and the shell of the encapsulated amine catalyst. Furthermore, we provide evidence against interaction between amine and nickel catalysts and present kinetic data that demonstrates that there is a rate enhancement of the Michael addition due to the urea groups on the surface of the microencapsulated catalyst. We applied our one-pot reaction to the development of a new synthetic route for pregabalin that proceeds with an overall yield of 74%.

An enantioselective Michael addition of malonate to nitroalkenes catalyzed by low loading demethylquinine salts in water

Chen, Fu-Xin,Shao, Cheng,Wang, Quan,Gong, Pin,Zhang, Dong-Yan,Zhang, Bang-Zhi,Wang, Rui

, p. 8456 - 8459 (2008/03/13)

An enantioselective Michael addition of malonate to nitroalkenes is efficiently catalyzed by low loading demethylquinine salts in water; the yield range from 49% to 93% and the ee up to 90%.

The study of reaction mechanism for the transformation of nitronate into nitrile by phosphorus trichloride

Tu, Zhijay,Jang, Yaochung,Lin, Chunchi,Liu, Ju-Tsung,Hsu, Jianming,Sastry,Yao, Ching-Fa

, p. 10541 - 10551 (2007/10/03)

Nitronate was generated using β-nitrostyrene and the anion of dimethyl malonate in THF at 0°C. Subsequent treatment with PCl3 in the presence/absence of DMAP either in THF or pyridine afforded nitroalkane, chloroxime, and nitrile. Pyridine, THF, and THF-pyridine co-solvent as solvents were investigated under different conditions. With different anions of malonates containing dipolarphiles, cyclic compounds were obtained as major products indicating nitrile oxides were generated during the reaction. Based on the results, compared to that of the one reported in literature, a plausible mechanism involving nitrile oxide intermediate was proposed.

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