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2-(1-Hydroxymethylcyclopropyl)acetic acid, also known as HMCPA, is a chemical compound with the formula C7H10O3. It is a carboxylic acid that contains a hydroxyl group, a cyclopropyl group, and an acetic acid group within its structure. This colorless solid at room temperature is widely used in chemical science and pharmaceutical research due to its unique reactive properties. Research surrounding this compound primarily revolves around its application in the synthesis of other complex molecules. Safety data regarding this chemical indicates that it should be handled with care as it can cause skin irritation, severe eye irritation, and may also cause respiratory irritation if inhaled.

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  • 869066-83-1 Structure
  • Basic information

    1. Product Name: 2-(1-Hydroxymethylcyclopropyl)acetic acid
    2. Synonyms: 2-(1-Hydroxymethylcyclopropyl)acetic acid;1-(hydroxymethyl)Cyclopropaneacetic acid
    3. CAS NO:869066-83-1
    4. Molecular Formula: C6H10O3
    5. Molecular Weight: 130.1418
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 869066-83-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 289.7°C at 760 mmHg
    3. Flash Point: 143.3°C
    4. Appearance: /
    5. Density: 1.27g/cm3
    6. Vapor Pressure: 0.000237mmHg at 25°C
    7. Refractive Index: 1.514
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 4.76±0.10(Predicted)
    11. CAS DataBase Reference: 2-(1-Hydroxymethylcyclopropyl)acetic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-(1-Hydroxymethylcyclopropyl)acetic acid(869066-83-1)
    13. EPA Substance Registry System: 2-(1-Hydroxymethylcyclopropyl)acetic acid(869066-83-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 869066-83-1(Hazardous Substances Data)

869066-83-1 Usage

Uses

Used in Chemical Science:
2-(1-Hydroxymethylcyclopropyl)acetic acid is used as a chemical intermediate for the synthesis of other complex molecules, contributing to the advancement of chemical research and development.
Used in Pharmaceutical Research:
2-(1-Hydroxymethylcyclopropyl)acetic acid is used as a key component in the development of new pharmaceutical compounds, potentially leading to the creation of novel drugs and therapies. Its unique structure and reactive properties make it a valuable asset in the field of medicinal chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 869066-83-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,9,0,6 and 6 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 869066-83:
(8*8)+(7*6)+(6*9)+(5*0)+(4*6)+(3*6)+(2*8)+(1*3)=221
221 % 10 = 1
So 869066-83-1 is a valid CAS Registry Number.
InChI:InChI=1/C6H10O3/c7-4-6(1-2-6)3-5(8)9/h7H,1-4H2,(H,8,9)

869066-83-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[1-(hydroxymethyl)cyclopropyl]acetic acid

1.2 Other means of identification

Product number -
Other names 2-(1-(HYDROXYMETHYL)CYCLOPROPYL)ACETIC ACID

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:869066-83-1 SDS

869066-83-1Relevant articles and documents

Nitroxide derivative of ROCK kinase inhibitor

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Paragraph 0536-0542, (2020/06/17)

The invention provides a small molecular compound of a NO donor. The small molecular compound is characterized in that the small molecular compound is a compound shown represented by structural formula I shown in the description, or a stereoisomer, a geometrical isomer, a tautomer, a racemate, a deuterated isotope derivative, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof; and in the formula I, ring A is a substituted or unsubstituted heteroaromatic ring, X is selected from (CH2)n, n is selected from 0, 1, 2 and 3, R is a substituent group of terminal -O-NO2, R is selected from hydrogen, a hydroxyl group, halogen, an amino group, a cyano group, a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkoxy group, a substituted or unsubstituted alkenyl group, a substituted or unsubstituted alkynyl group and a substituted or unsubstituted heteroalkyl group, and R and R are respectively and independently selected from hydrogen, a substituted or unsubstituted alkyl group, a substituted or unsubstituted naphthenic base or an amino protecting group, or R and R are connected to form a substituted or unsubstituted cyclic heteroalkyl group. The compound has a high-activity inhibition effect on ROCK kinase.

Synthesis method and application of 1-hydroxymethyl cyclopropyl acetic acid

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Paragraph 0026-0037, (2020/05/08)

The invention provides a synthetic method of 1-hydroxymethyl cyclopropyl acetic acid, which is an important intermediate of montelukast sodium serving as a raw material. The method comprises the following steps: by taking a compound bromomethyl cyclopropyl acetate as an initial raw material, preparing a Grignard reagent from the compound bromomethyl cyclopropyl acetate and magnesium strips or magnesium chips or magnesium powder under the initiation of an initiator; in the same reaction system, performing nucleophilic addition with dried carbon dioxide to prepare a compound, namely magnesium acetate bromide cyclopropyl ester; and carrying out ester hydrolysis on the magnesium bromide acetate cyclopropyl ester under an alkaline condition to obtain the 1-hydroxymethyl cyclopropyl acetic acid.The cost is effectively reduced; and synthesis steps are reduced, high-risk operation in the synthesis process is removed, safety risks are reduced, and environmental pollution is reduced.

SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF

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Page/Page column 198, (2011/05/05)

The present invention provides a compound of Formula (1) as described herein or a pharmaceutically acceptable salt, solvate or ester thereof. The compounds are useful as inhibitors of the HDM2 protein. Also disclosed are pharmaceutical compositions comprising the above compounds and methods of treating cancer using the same.

Process for making montelukast and intermediates therefor

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Page/Page column 10-11, (2008/06/13)

A process for making montelukast, a pharmaceutically useful compound of the following formula and salts thereof: using a compound of formula (20) is provided.

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