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156469-70-4

4-Phenylpyrrolidine-3-methylcarboxylate, with the molecular formula C13H17NO2, is a chemical compound that belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds characterized by a benzene ring linked to a pyrrolidine ring through a C=C bond. As a synthetic compound, it is primarily used as an intermediate in the production of pharmaceutical and cosmetic products. Due to limited information on its environmental impact and toxicity, it is essential to handle 4-PHENYLPYRROLIDINE-3-METHYLCARBOXYLATE with appropriate safety measures.

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  • 156469-70-4 Structure

  • Basic information

    1. Product Name: 4-PHENYLPYRROLIDINE-3-METHYLCARBOXYLATE
    2. Synonyms: METHYL (+/-)-TRANS-4-PHENYLPYRROLIDINE-3-CARBOXYLATE;4-PHENYLPYRROLIDINE-3-METHYLCARBOXYLATE;Trans (+/-) 4-phenylpyrrolidine-3-Methylcarboxylate;2-(4-phenylpyrrolidin-3-yl)acetate;Methyl DL-trans-4-Phenylpyrrolidine-3-carboxylate;trans-3-(Methoxycarbonyl)-4-phenylpyrrolidine, [trans-4-(Methoxycarbonyl)pyrrolidin-3-yl]benzene;Trans-methyl 4-phenylpyrrolidine-3-carboxylate HCl;Methyl (3S,4R)-4-phenylpyrrolidine-3-carboxylate
    3. CAS NO:156469-70-4
    4. Molecular Formula: C12H15NO2
    5. Molecular Weight: 205.25
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 156469-70-4.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 307.8°C at 760 mmHg
    3. Flash Point: 139.9°C
    4. Appearance: /
    5. Density: 1.1g/cm3
    6. Vapor Pressure: 0.00071mmHg at 25°C
    7. Refractive Index: 1.525
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: N/A
    10. PKA: 9.02±0.10(Predicted)
    11. CAS DataBase Reference: 4-PHENYLPYRROLIDINE-3-METHYLCARBOXYLATE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-PHENYLPYRROLIDINE-3-METHYLCARBOXYLATE(156469-70-4)
    13. EPA Substance Registry System: 4-PHENYLPYRROLIDINE-3-METHYLCARBOXYLATE(156469-70-4)

  • 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: 156469-70-4(Hazardous Substances Data)

156469-70-4 Usage

Uses

Used in Pharmaceutical Industry:
4-Phenylpyrrolidine-3-methylcarboxylate is used as a chemical intermediate for the synthesis of various pharmaceutical products. Its unique structure allows it to be a key component in the development of new drugs, potentially contributing to the treatment of various medical conditions.
Used in Cosmetic Industry:
In the cosmetic industry, 4-Phenylpyrrolidine-3-methylcarboxylate is utilized as a raw material in the formulation of cosmetic products. Its presence in these products may be attributed to its ability to enhance the performance or stability of the final formulation, ensuring a better user experience and product efficacy.

Check Digit Verification of cas no

The CAS Registry Mumber 156469-70-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,6,4,6 and 9 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 156469-70:
(8*1)+(7*5)+(6*6)+(5*4)+(4*6)+(3*9)+(2*7)+(1*0)=164
164 % 10 = 4
So 156469-70-4 is a valid CAS Registry Number.
InChI:InChI=1/C12H15NO2/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11+/m0/s1

156469-70-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name trans-Methyl 4-phenylpyrrolidine-3-carboxylate

1.2 Other means of identification

Product number -
Other names 4-PHENYLPYRROLIDINE-3-METHYLCARBOXYLATE

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:156469-70-4 SDS

156469-70-4Downstream Products

156469-70-4Relevant articles and documents

Pyrrolidine-carboxamides and oxadiazoles as potent hNK1 antagonists

Young, Jonathan R.,Eid, Ronsar,Turner, Cherilyn,DeVita, Robert J.,Kurtz, Marc M.,Tsao, Kwei-Lan C.,Chicchi, Gary G.,Wheeldon, Alan,Carlson, Emma,Mills, Sander G.

, p. 5310 - 5315 (2008/03/11)

The preparation and structure-activity-relationships of novel pyrrolidine-carboxamides and oxadiazoles are described. Compounds in this series were found to be potent hNK1 antagonists in vitro and efficacious in vivo with minimal interactions with P450 liver enzymes. Oxadiazole analog 22 was determined to have excellent hNK1 binding affinity, functional activity, and a good PD response in vivo.

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