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Methyl N-benzoyl-4-hydroxyprolinate is a chemical compound belonging to the class of Pyrrolidine and pyrrolidine derivatives. It features a pyrrolidine ring, which is a five-membered saturated ring composed of one nitrogen atom and four carbon atoms. Although it does not have large scale industrial applications, this compound is primarily used in scientific research and development. There is limited or no significant information available regarding its toxicity or potential hazards, indicating that studies on its health and environmental impact are either limited or have not been conducted.

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  • 31560-20-0 Structure
  • Basic information

    1. Product Name: METHYL N-BENZOYL-4-HYDROXYPROLINATE
    2. Synonyms: METHYL N-BENZOYL-4-HYDROXYPROLINATE;Bzl-Hyp-Ome;Methyl (4R)-1-benzoyl-4-hydroxy-L-prolinate
    3. CAS NO:31560-20-0
    4. Molecular Formula: C13H15NO4
    5. Molecular Weight: 249.26
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 31560-20-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 414.3oC at 760 mmHg
    3. Flash Point: 204.4oC
    4. Appearance: /
    5. Density: 1.302g/cm3
    6. Vapor Pressure: 1.31E-07mmHg at 25°C
    7. Refractive Index: 1.585
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: METHYL N-BENZOYL-4-HYDROXYPROLINATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL N-BENZOYL-4-HYDROXYPROLINATE(31560-20-0)
    12. EPA Substance Registry System: METHYL N-BENZOYL-4-HYDROXYPROLINATE(31560-20-0)
  • 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: 31560-20-0(Hazardous Substances Data)

31560-20-0 Usage

Uses

Used in Scientific Research and Development:
Methyl N-benzoyl-4-hydroxyprolinate is used as a chemical compound in scientific research and development for [application reason]. Given its limited industrial applications, its primary role is to contribute to the advancement of knowledge in chemistry and related fields.

Check Digit Verification of cas no

The CAS Registry Mumber 31560-20-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,5,6 and 0 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 31560-20:
(7*3)+(6*1)+(5*5)+(4*6)+(3*0)+(2*2)+(1*0)=80
80 % 10 = 0
So 31560-20-0 is a valid CAS Registry Number.
InChI:InChI=1/C13H15NO4/c1-18-13(17)11-7-10(15)8-14(11)12(16)9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3/t10-,11+/m1/s1

31560-20-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name METHYL N-BENZOYL-4-HYDROXYPROLINATE

1.2 Other means of identification

Product number -
Other names trans-N-benzoyl-4-hydroxy-L-proline 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:31560-20-0 SDS

31560-20-0Relevant articles and documents

PYRROLO PYRIMIDINONE COMPOUND

-

, (2021/09/01)

PROBLEM TO BE SOLVED: To provide a novel compound that has inhibitory action on prolyl hydroxylases (PHDs) and is useful as a treatment agent for inflammatory bowel diseases such as ulcerative colitis. SOLUTION: This invention relates to a pyrrolo pyrimidinone compound represented by the formula (I) or a pharmacologically acceptable salt thereof. The compound or a pharmacologically acceptable salt thereof has inhibitory action on prolyl hydroxylases and is useful as a treatment agent for inflammatory bowel diseases such as ulcerative colitis. SELECTED DRAWING: None COPYRIGHT: (C)2021,JPOandINPIT

Synthesis and biological evaluation of (-)-kainic acid analogues as phospholipase D-coupled metabotropic glutamate receptor ligands

Zanato, Chiara,Watson, Sonia,Bewick, Guy S.,Harrison, William T. A.,Zanda, Matteo

supporting information, p. 9638 - 9643 (2015/02/19)

(-)-Kainic acid potently increases stretch-induced afferent firing in muscle spindles, probably acting through a hitherto uncloned phospholipase D (PLD)-coupled mGlu receptor. Structural modification of (-)-kainic acid was undertaken to explore the C-4 substituent effect on the pharmacology related to muscle spindle firing. Three analogues 1a-c were synthesised by highly stereoselective additions of a CF3, a hydride and an alkynyl group to the Re face of the key pyrrolidin-4-one intermediate 5a followed by further structural modifications. Only the 4-(1,2,3-triazolyl)-kainate derivative 1c retained the kainate-like agonism, increasing firing in a dose-dependent manner. Further modification of 1c by introduction of a PEG-biotin chain on the 1,2,3-triazole fragment afforded compound 14 which retained robust agonism at 1 μM and appears to be suitable for future use in pull-down assays and far western blotting for PLD-mGluR isolation. This journal is

Cyclopropenone catalyzed substitution of alcohols with mesylate ion

Nacsa, Eric D.,Lambert, Tristan H.

supporting information, p. 38 - 41 (2013/03/28)

The cyclopropenone catalyzed nucleophilic substitution of alcohols by methanesulfonate ion with inversion of configuration is described. This work provides an alternative to the Mitsunobu reaction that avoids the use of azodicarboxylates and generation of hydrazine and phosphine oxide byproducts. This transformation is shown to be compatible with a range of functionality. A cyclopropenone scavenge strategy is demonstrated to aid purification.

Synthetic study of optically active 3-azabicyclo[3.3.0]octane-2,6,8- tricarboxylic acid

Arakawa, Yasushi,Ohnishi, Masafumi,Yoshimura, Norikazu,Yoshifuji, Shigeyuki

, p. 1015 - 1020 (2007/10/03)

Synthesis of (1R,2S,5S,6R,8S)-3-azabicyclo[3.3.0]octane-2,6,8-tricarboxylic acid (2) from trans-4-hydroxy-L-proline (5) was attempted. A Diels-Alder reaction of 3,4-dehydroproline derivative 9 and cyclopentadiene afforded a single stereoisomer 11. The Diels-Alder adduct was smoothly converted to the hydrochloride of 2 (24) via RuO4 oxidation. Although some racemization of the material or product was observed during the synthetic processes, the amino acid 24 proved to be optically pure.

Asymmetric synthesis of α-branched primary amines on solid support via novel hydrazine resins

Enders, Dieter,Kirchhoff, Jan H.,Koebberling, Johannes,Peiffer, Thomas H.

, p. 1241 - 1244 (2007/10/03)

Matrix presented Two novel chiral hydrazine resins for asymmetric solid-phase synthesis have been developed. The enantiopure β-methoxyamino auxiliaries, derived from frans-4-hydroxy-(S) -proline and (R) -leucine, were attached to Merrifield resin and transformed into their corresponding hydrazines. Immobilization of various aldehydes, followed by 1,2-addition of organolithium reagents to the resulting enantiopure hydrazones and reductive cleavage from the solid support, furnished α-branched amines, which were isolated as their corresponding amides in good overall yields and enantiomeric excesses of up to 86%.

Towards a versatile synthesis of kainoids I: Introduction of the C-3 and C-4 substituents

Baldwin, Jack E.,Bamford, Samantha J.,Fryer, Andrew M.,Rudolph, Martin P. W.,Wood, Mark E.

, p. 5233 - 5254 (2007/10/03)

The first stages in the synthesis of acromelic acid analogues from trans-4-hydroxy-L-proline are described. An enamine alkylation was used to stereospecifically introduce the C-3 substituent, Grignard addition to a ketone or Pd(0) catalysed cross-coupling procedures adding C-4 aryl substituents for further manipulation. A number of versatile intermediates were generated.

N-α-benzoyl-cis-4-amino-L-proline: A γ-turn mimetic

Curran, Timothy P.,Chandler, Nicole M.,Kennedy, Robert J.,Keaney, Meghan T.

, p. 1933 - 1936 (2007/10/03)

Peptides containing N-α-benzoyl-cis-4-amino-L-proline are shown to adopt γ-turn conformations in chloroform solutions.

Stereospecific synthesis of (R)- and (S)-Baclofen and (R)- and (S)- PCPGABA [4-amino-2-(4-chlorophenyl)butyric acid] via (R)- and (S)-3-(4- chlorophenyl)pyrrolidines

Yoshifuji,Kaname

, p. 1302 - 1306 (2007/10/02)

(R)- and (S)-baclofen and (R)- and (S)-PCPGABA [4-amino-2-(4- chlorophenyl)butyric acid] were stereospecifically synthesized via (R)- and (S)-3-(4-chlorophenyl)pyrrolidines, starting from trans-4-hydroxy-L-proline. The syntheses involve two key operations

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