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2-Fluorophenylglycine-N-Boc protected is a chemical compound derived from glycine, an essential amino acid, with a Boc (tert-butyloxycarbonyl) protecting group attached to the amine functionality. The presence of a fluorine atom on the phenyl ring endows the molecule with unique reactivity, making it a valuable building block for the synthesis of complex organic compounds. 2-FLUOROPHENYLGLYCINE-N-BOC PROTECTED is widely used in the pharmaceutical industry and academic research for the development of new drugs and the study of organic chemistry and chemical reactivity.

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  • 161330-30-9 Structure
  • Basic information

    1. Product Name: 2-FLUOROPHENYLGLYCINE-N-BOC PROTECTED
    2. Synonyms: N-BOC-2-FLUOROPHENYLGLYCINE;2-Fluoro-DL-phenylglycine, N-BOC protected;a-(Boc-amino)-2-fluorobenzeneacetic acid;N-Boc-DL-2-FluoroPhenylglycine
    3. CAS NO:161330-30-9
    4. Molecular Formula: C13H16FNO4
    5. Molecular Weight: 269.2704
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 161330-30-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 403.5°C at 760 mmHg
    3. Flash Point: 197.8°C
    4. Appearance: /
    5. Density: 1.242g/cm3
    6. Vapor Pressure: 3.1E-07mmHg at 25°C
    7. Refractive Index: 1.519
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 3.23±0.10(Predicted)
    11. CAS DataBase Reference: 2-FLUOROPHENYLGLYCINE-N-BOC PROTECTED(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-FLUOROPHENYLGLYCINE-N-BOC PROTECTED(161330-30-9)
    13. EPA Substance Registry System: 2-FLUOROPHENYLGLYCINE-N-BOC PROTECTED(161330-30-9)
  • Safety Data

    1. Hazard Codes: Xi
    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: 161330-30-9(Hazardous Substances Data)

161330-30-9 Usage

Uses

Used in Pharmaceutical Industry:
2-Fluorophenylglycine-N-Boc protected is used as a key intermediate in the synthesis of various pharmaceuticals for its unique reactivity and the ability to form complex organic compounds. The Boc protecting group ensures the stability of the amine functionality during the synthesis process, facilitating the creation of new drug candidates with potential therapeutic applications.
Used in Academic Research:
In the field of academic research, 2-Fluorophenylglycine-N-Boc protected serves as a valuable tool for studying organic chemistry and chemical reactivity. The presence of the fluorine atom on the phenyl ring allows researchers to explore the effects of electron-withdrawing groups on the reactivity and selectivity of organic reactions. 2-FLUOROPHENYLGLYCINE-N-BOC PROTECTED can be used to investigate various reaction mechanisms, develop new synthetic methodologies, and understand the influence of structural modifications on the properties and behavior of organic molecules.
Overall, 2-Fluorophenylglycine-N-Boc protected is a versatile and essential compound in both the pharmaceutical industry and academic research, playing a crucial role in the development of new drugs and the advancement of organic chemistry knowledge.

Check Digit Verification of cas no

The CAS Registry Mumber 161330-30-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,1,3,3 and 0 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 161330-30:
(8*1)+(7*6)+(6*1)+(5*3)+(4*3)+(3*0)+(2*3)+(1*0)=89
89 % 10 = 9
So 161330-30-9 is a valid CAS Registry Number.
InChI:InChI=1/C13H16FNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)

161330-30-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

1.2 Other means of identification

Product number -
Other names [(tert-butoxycarbonyl)amino](2-fluorophenyl)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:161330-30-9 SDS

161330-30-9Relevant articles and documents

Synthesis ofN-Boc-α-amino Acids from Carbon Dioxide by Electrochemical Carboxylation ofN-Boc-α-aminosulfones

Senboku, Hisanori,Minemura, Yoshihito,Suzuki, Yuto,Matsuno, Hidetoshi,Takakuwa, Mayu

, p. 16077 - 16083 (2021/10/12)

Electrochemical reduction ofN-Boc-α-aminosulfones in DMF using an undivided cell equipped with a Pt plate cathode and an Mg rod anode under atmospheric pressure of bubbling carbon dioxide through the solution under constant current conditions resulted in a reductive C-S bond cleavage with elimination of benzenesulfinate ion generating the corresponding anion species followed by fixation of carbon dioxide to give the correspondingN-Boc-α-amino acids in moderate to good yields.

SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS

-

Paragraph 00841-00844, (2018/08/20)

Provided herein are compounds of the Formula I: and stereoisomers and pharmaceutically acceptable salts or solvates thereof, in which A, B, D, E, X1, X2, X3 and X4 have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including diseases or disorders mediated by a RET kinase.

HETEROARYL DERIVATIVES

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Paragraph 0502; 0503; 0504; 0505, (2015/06/17)

Compounds of formula (I) described herein are both phosphodiesterase 4 (PDE4) enzyme inhibitors and muscarinic M3 receptor antagonists and are useful for the prevention and/or treatment of diseases of the respiratory tract characterized by airway obstruction.

HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES

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Page/Page column 116; 117; 118, (2015/06/18)

The invention relates to novel compounds of formula (I) which are both phosphodiesterase 4 (PDE4) enzyme inhibitors and muscarinic M3 receptor antagonists, methods of preparing such compounds, compositions containing them and therapeutic use thereof.

PHENYLETHYLPYRIDINE DERIVATIVES AS PDE4-INHIBITORS

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Page/Page column 69; 70, (2014/06/24)

The invention relates to novel compounds which are both inhibitors of the phosphodiesterase 4 (PDE4) enzyme and muscarinic M3 receptor antagonists, methods of preparing such compounds, compositions containing them and therapeutic use thereof.

NOVEL COMPOUNDS

-

Page/Page column 34, (2014/06/23)

Compounds of formula (I) defined herein are both inhibitors of the phosphodiesterase 4 (PDE4) enzyme and muscarinic M3 receptor antagonists and are useful for the prevention and/or treatment of a disease of the respiratory tract characterized by airway obstruction.

GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS

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Page/Page column 66-67, (2012/06/15)

The present invention relates to alkaloid aminoester derivatives acting as muscarinic receptor antagonists, processes for their preparation, compositions comprising them and therapeutic uses thereof.

GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF

-

Page/Page column 31, (2012/06/16)

Alkaloid aminoester derivatives according to formula (I) and (VI) act as muscarinic receptor antagonists.

Synthesis of arylglycine and mandelic acid derivatives through carboxylations of α-amido and α-acetoxy stannanes with carbon dioxide

Mita, Tsuyoshi,Sugawara, Masumi,Hasegawa, Hiroyuki,Sato, Yoshihiro

experimental part, p. 2159 - 2168 (2012/06/01)

Incorporation reactions of carbon dioxide (CO2) with N-Boc-α-amido and α-acetoxy stannanes were developed using CsF as a mild tin activator. Monoprotected α-amido stannanes could be used, and the corresponding arylglycine derivatives were obtained in moderate-to-high yields under 1 MPa (10 atm) of CO2 pressure. α-Acetoxy stannanes also underwent carboxylation to afford mandelic acid derivatives in excellent yields under ambient CO2 pressure. Both transformations enabled the synthesis of α-tertiary and α-quaternary carboxylic acid derivatives. In addition, the chirality of (S)-N-tert-butylsulfonyl-α- amido stannanes was transferred with up to 90% inversion of configuration at 100 °C.

One-pot synthesis of α-amino acids from imines through CO2 incorporation: An alternative method for strecker synthesis

Mita, Tsuyoshi,Chen, Jianyang,Sugawara, Masumi,Sato, Yoshihiro

, p. 1393 - 1396 (2011/04/22)

Itas a gas: A novel one-pot process for the synthesis of α-amino acids from imine equivalents using CO2 gas as a carbon source has been developed. This reaction was made possible by the reagent combination of TMSSnBu3 and CsF (see scheme). Three successive reactions (imine formation, stannylation, and carboxylation) proceeded in the same flask under these conditions to give products in up to 79 % yield. Boc=tert-butoxycarbonyl, TMS=trimethylsilyl.

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