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5-Hydroxymethyl-nicotinic acid methyl ester, also known as 5-(Hydroxymethyl)-3-pyridinecarboxylic Acid Methyl Ester, is an organic compound derived from nicotinic acid. It is characterized by its ester functional group and a hydroxymethyl group attached to the 5-position of the pyridine ring. 5-Hydroxymethyl-nicotinic acid methyl ester serves as a crucial intermediate in the synthesis of various chemical compounds, particularly in the pharmaceutical industry.

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  • 129747-52-0 Structure
  • Basic information

    1. Product Name: 5-Hydroxymethyl-nicotinic acid methyl ester
    2. Synonyms: 5-Hydroxymethyl-nicotinic acid methyl ester;Methyl (5-hydroxymethyl)nicotinate;5-(HydroxyMethyl)-3-pyridinecarboxylic Acid Methyl Ester;Methyl 5-(hydroxymethyl)
    3. CAS NO:129747-52-0
    4. Molecular Formula: C8H9NO3
    5. Molecular Weight: 167.17
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 129747-52-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 316.3±32.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.244±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Room Temperature
    8. Solubility: N/A
    9. PKA: 13.40±0.10(Predicted)
    10. CAS DataBase Reference: 5-Hydroxymethyl-nicotinic acid methyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-Hydroxymethyl-nicotinic acid methyl ester(129747-52-0)
    12. EPA Substance Registry System: 5-Hydroxymethyl-nicotinic acid methyl ester(129747-52-0)
  • 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: 129747-52-0(Hazardous Substances Data)

129747-52-0 Usage

Uses

Used in Pharmaceutical Industry:
5-Hydroxymethyl-nicotinic acid methyl ester is used as an intermediate in the synthesis of Nornicotine (N757000) analogs. These analogs are specifically designed to be used as haptens for immunoassays, which are essential tools in the detection and quantification of specific biomarkers, such as drugs, hormones, or other substances of interest. The compound's role in the synthesis of these analogs makes it a valuable component in the development of diagnostic tests and medical research.

Check Digit Verification of cas no

The CAS Registry Mumber 129747-52-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,9,7,4 and 7 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 129747-52:
(8*1)+(7*2)+(6*9)+(5*7)+(4*4)+(3*7)+(2*5)+(1*2)=160
160 % 10 = 0
So 129747-52-0 is a valid CAS Registry Number.

129747-52-0SDS

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 5-(hydroxymethyl)pyridine-3-carboxylate

1.2 Other means of identification

Product number -
Other names 5-HYDROXYMETHYL-NICOTINIC ACID METHYL ESTER

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:129747-52-0 SDS

129747-52-0Relevant articles and documents

HETEROCYCLIC FXR MODULATORS

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Paragraph 0134, (2018/05/16)

The present technology is directed to compounds of formula (I), compositions, and methods related to modulation of FXR. In particular, the present compounds and compositions may be used to treat FXR-mediated disorders and conditions, including, e.g., liver disease, hyperlipidemia, hypercholesteremia, obesity, metabolic syndrome, cardiovascular disease, gastrointestinal disease, and atherosclerosis, and renal disease.

NOVEL FXR (NR1H4 ) BINDING AND ACTIVITY MODULATING COMPOUNDS

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, (2011/04/13)

The present invention relates to compounds which bind to the NR1 H4 receptor (FXR) and act as agonists of the NR1 H4 receptor (FXR). The invention further relates to the use of the compounds for the preparation of a medicament for the treatment of diseases and/or conditions through binding of said nuclear receptor by said compounds, and to a process for the synthesis of said compounds.

Gonadotropin releasing hormone receptor antagonists

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Page/Page column 25-26, (2010/02/15)

The present invention relates to Gonadotropin Releasing Hormone (“GnRH”) (also known as Leutinizing Hormone Releasing Hormone) receptor antagonists.

Synthesis biological and biological evaluation of some acyclic pyridine C-nucleosides. Part two

Van Hemel, Johan,Esmans, Eddy L.,De Groot, Alex,Dommisse, Roger A.,Balzarini, Jan M.,De Clercq, Erik D.

, p. 1203 - 1221 (2007/10/03)

3-Bromo-5-(2-hydroxyethylthiomethyl)pyridine (7) was synthesized by reaction of 3-bromo-5-chloromethylpyridine hydrochloride (6) with the mono sodium salt of 2-mercaptoethanol. 3-Bromo-5-hydroxymethylpyridine (10) was, after protection as a silyl ether, c

Substituted alkylamine derivatives

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, (2008/06/13)

The substituted alkylamine derivatives represented by formula (I) STR1 wherein R1 represents (a) substituted or unsubstituted C2-6 alkenyl group, (b) substituted or unsubstituted C3-6 cycloalkenyl group, (c) substituted or unsubstituted C2-6 alkynyl group, (d) substituted or unsubstituted aryl group, (e) substituted or unsubstituted heterocyclic group, (f) fused heterocyclic group which may be substituted, or (g) group represented by the formula Ru11 -Ar wherein R11 is a heterocyclic group and Ar is a 5- or 6-membered aromatic ring which may contain a hetero N, O or S atom, and which may be substituted; STR2 represents a 5- or 6-membered aromatic ring which may contain a hetero N, O or S atom, and may be substituted by R7, X and Y are linking groups, R2 is H or lower alkyl, R3 is hydrogen, lower alkyl, lower alkenyl, lower alkynyl or lower cycloalkyl, R4 and R5 are independently hydrogen or halogen atoms, R6 represents (a) substituted or unsubstituted acyclic hydrocarbon group which may be unsaturated, (b) substituted or unsubstituted cycloalkyl group, or (c) substituted or unsubstituted phenyl group, or non-toxic salts thereof. (E)-N-(6-6-dimethyl-2-hepten-4-ynyl)-N-ethyl-3-[4-(3-thienyl)-2-thienyl-methyloxy]benzylamine hydrochloride is a representative example. The substituted alkylamine derivatives are useful as pharmaceuticals, particularly for the treatment and prevention of hypercholesterolemia, hyperlipemia and arteriosclerosis.

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