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METHYL 4-METHYL-4-NITROPENTANOATE, with the molecular formula C8H15NO4, is a yellow, crystalline solid known for its fruity, floral odor. It is a chemical compound that serves various purposes in different industries, including the food, pharmaceutical, and agrochemical sectors.

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  • 16507-02-1 Structure
  • Basic information

    1. Product Name: METHYL 4-METHYL-4-NITROPENTANOATE
    2. Synonyms: 4-NITRO-4-METHYLPENTANOIC ACID METHYL ESTER;METHYL 4-METHYL-4-NITROPENTANOATE;4-Methyl-4-nitropentanoic acid methyl ester;pentanoic acid, 4-methyl-4-nitro-, methyl ester;Methyl 4-nitro-4-valerate;Nsc63913;Valeric acid, 4-methyl-4-nitro-, methyl ester;Methyl 4-methyl-4-nitropentanoate ,98%
    3. CAS NO:16507-02-1
    4. Molecular Formula: C7H13NO4
    5. Molecular Weight: 175.18
    6. EINECS: N/A
    7. Product Categories: C6 to C7;Carbonyl Compounds;Esters;Building Blocks;C6 to C7;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
    8. Mol File: 16507-02-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 79 °C1 mm Hg(lit.)
    3. Flash Point: >230 °F
    4. Appearance: /
    5. Density: 1.114 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 0.0298mmHg at 25°C
    7. Refractive Index: n20/D 1.441(lit.)
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: METHYL 4-METHYL-4-NITROPENTANOATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL 4-METHYL-4-NITROPENTANOATE(16507-02-1)
    12. EPA Substance Registry System: METHYL 4-METHYL-4-NITROPENTANOATE(16507-02-1)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-37/39
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 16507-02-1(Hazardous Substances Data)

16507-02-1 Usage

Uses

Used in Food Industry:
METHYL 4-METHYL-4-NITROPENTANOATE is used as a flavoring agent for its distinctive fruity, floral scent, enhancing the taste and aroma of confectionery, beverages, and other food products.
Used in Perfume Industry:
In the perfume industry, METHYL 4-METHYL-4-NITROPENTANOATE is utilized as a fragrance ingredient, contributing to the creation of various scent profiles due to its pleasant and appealing odor.
Used in Pharmaceutical Synthesis:
METHYL 4-METHYL-4-NITROPENTANOATE is used as an intermediate in the synthesis of pharmaceuticals, playing a crucial role in the development of new drugs and medicinal compounds.
Used in Agrochemical Synthesis:
Similarly, in the agrochemical sector, METHYL 4-METHYL-4-NITROPENTANOATE serves as an intermediate in the production of various agrochemicals, aiding in the development of agricultural products and solutions.
It is important to handle METHYL 4-METHYL-4-NITROPENTANOATE with care due to its toxic nature if ingested and its potential to cause skin and eye irritation. Proper safety measures should be taken during its use in any application.

Check Digit Verification of cas no

The CAS Registry Mumber 16507-02-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,5,0 and 7 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 16507-02:
(7*1)+(6*6)+(5*5)+(4*0)+(3*7)+(2*0)+(1*2)=91
91 % 10 = 1
So 16507-02-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H13NO4/c1-7(2,8(10)11)5-4-6(9)12-3/h4-5H2,1-3H3

16507-02-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 4-methyl-4-nitropentanoate

1.2 Other means of identification

Product number -
Other names METHYL 4-METHYL-4-NITROPENTANOATE

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:16507-02-1 SDS

16507-02-1Relevant articles and documents

Syntheses and spin trappings of 3-hydroxymethyl-5,5-dimethyl-1-pyrroline N-oxide and 3-(3-hydroxypropyl)-5,5-dimethyl-1-pyrroline N-oxide

Sato, Rikiya,Ito, Kazuyoshi,Igarashi, Hayato,Uejima, Mitsugu,Nakahashi, Kenichi,Morioka, Junko,Takeishi, Makoto

, p. 1059 - 1060 (1997)

New nitrones of 5,5-dimethyl-1-pyrroline N-oxide (DMPO)-type , 3-hydroxymethyl-5,5-dimethyl-1-pyrroline N-oxide (3HM-DMPO) and 3-(3-hydroxypropyl)-5,5-dimethyl-1-pyrroline N-oxide (3HP-DMPO), were synthesized and tested for the ability in radical trapping of oxygen-centered radicals. 3HM-DMPO trapped superoxide but did not hydroxyl radicals, whereas 3HP-DMPO served as a trap for both radicals.

2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF

-

Paragraph 0451; 0452; 0453; 0454, (2021/04/16)

The present application relates to a 2,3-dihydro-1H-pyrrolizine-7-formamide derivative as a nucleoprotein inhibitor and a use in preparation of a drug for treating HBV related diseases. The present application specifically relates to a compound represented by formula (II), and isomers or pharmaceutically acceptable salts thereof.

LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF

-

Paragraph 0146, (2021/08/20)

The present technology is directed to compounds Formulas I, II, III, and IV as well as compositions that include one or more of the compounds and methods of making the compounds. In particular, the present compounds may be used as a replacement for NMP in compositions to produce lower toxicity compositions.

A class of histone acetylase p300 inhibitors, and application thereof

-

Paragraph 0280-0284, (2020/06/17)

The invention discloses a class of histone acetylase p300 inhibitors, and application thereof, and belongs to the technical field of medicinal chemistry. The invention discloses a compound representedby a formula (I), or a stereochemical isomer, a solvate or a pharmaceutically acceptable salt thereof. According to the invention, the compound can effectively inhibit the activity of histone acetylase p300 and can effectively inhibit the proliferation activity of various tumor cells; the compound is combined with a CDK4/6 inhibitor to play a synergistic role in inhibiting proliferation of tumorcells; and the compound has good application prospects in preparation of histone acetylase inhibitors, preparation of drugs for preventing and/or treating cancers, metabolic diseases, neurological diseases or inflammations, and combination of drugs.

CDK4/6 INHIBITORS AND USE THEREOF

-

Paragraph 616-618, (2019/03/05)

The present disclosure relates to a compound of formula (I), or a pharmaceutically acceptable salt, a solvate, a stereoisomer, or tautomer thereof, a pharmaceutical composition comprising a compound of formula (A) or formula (B), and any subgenera thereof, and use of said compounds and compositions thereof, wherein R1, R2, R3a, R3b, R5, R6, X1, X2, Y and n are described herein.

Solvent-Free Henry and Michael Reactions with Nitroalkanes Promoted by Potassium Carbonate as a Versatile Heterogeneous Catalyst

Bosica, Giovanna,Polidano, Kurt

, (2017/07/11)

The use of a simple weak inorganic base such as potassium carbonate facilitated the formation of carbon-carbon bonds through both the Henry and the Michael reactions with nitrocompounds. The application of this catalyst under environmentally friendly solventless heterogeneous conditions gave satisfactory to good yields of β-nitroalcohols, involving aliphatic and aromatic starting materials, as well as high to excellent yields in the formation of Michael adducts using several different Michael acceptors and nitroalkanes.

MULTIVALENT RAS BINDING COMPOUNDS

-

Paragraph 00879, (2017/07/23)

Described herein are compounds that modulate Ras signaling, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with altered Ras signaling. Further described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds and methods of using such compounds in the treatment of cell proliferative disorders, including cancer.

CERTAIN PROTEIN KINASE INHIBITOR

-

Paragraph 266, (2017/01/09)

Provided are certain CDK4/6 inhibitors, pharmaceutical compositions thereof, and methods of use therefor.

INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL

-

Page/Page column 52, (2015/11/16)

The present invention relates to compounds of the Formula (I), or a pharmaceutically acceptable salt, pharmaceutical preparation, or pharmaceutical composition thereof, and their use for the treatment of pain, inflammatory disease, neuropathy, dermatological disorders, pulmonary conditions, and cough, as well as inhibiting the Transient Receptor Potential Al ion channel (TRPA1).

NOVEL AMINO-PYRROLINE DERIVATIVES, AND USE THEREOF IN THE PREVENTION AND/OR TREATMENT OF METABOLIC SYNDROME

-

Paragraph 0174-0179; 0180, (2014/03/21)

Novel amino-pyrrolinic derivatives, their pharmacologically acceptable salts and use thereof in the prevention and/or treatment of metabolic syndrome.

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