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(S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-HYDROXYPENTANOATE is a chiral chemical compound featuring a hydroxy ester attached to a tert-butoxycarbonyl protected amino group. It is characterized by its (S) configuration and serves as a versatile building block in organic synthesis, particularly for the creation of pharmaceuticals and other bioactive molecules.

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  • Pentanoic acid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-hydroxy-, methyl ester, (4S)-

    Cas No: 126587-35-7

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  • 126587-35-7 Structure
  • Basic information

    1. Product Name: (S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-HYDROXYPENTANOATE
    2. Synonyms: (S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-HYDROXYPENTANOATE;(S)-4-[[(tert-Butoxy)carbonyl]amino]-5-hydroxypentanoic acid methyl ester
    3. CAS NO:126587-35-7
    4. Molecular Formula: C11H21NO5
    5. Molecular Weight: 247.29
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 126587-35-7.mol
  • Chemical Properties

    1. Melting Point: 40.5-41.5 °C
    2. Boiling Point: 374.918 °C at 760 mmHg
    3. Flash Point: 180.544 °C
    4. Appearance: /
    5. Density: 1.104
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.463
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 11.76±0.46(Predicted)
    11. CAS DataBase Reference: (S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-HYDROXYPENTANOATE(CAS DataBase Reference)
    12. NIST Chemistry Reference: (S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-HYDROXYPENTANOATE(126587-35-7)
    13. EPA Substance Registry System: (S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-HYDROXYPENTANOATE(126587-35-7)
  • 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: 126587-35-7(Hazardous Substances Data)

126587-35-7 Usage

Uses

Used in Pharmaceutical Synthesis:
(S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-HYDROXYPENTANOATE is used as a key intermediate in the synthesis of pharmaceuticals for its ability to be incorporated into complex molecular structures. The presence of both ester and amino functionalities allows for a wide range of chemical reactions, facilitating the development of new drugs.
Used in Organic Chemistry:
In the field of organic chemistry, (S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-HYDROXYPENTANOATE is utilized as a valuable intermediate due to its capacity to participate in various organic transformations. The tert-butoxycarbonyl protecting group can be removed under mild conditions, enabling further chemical manipulations and the exposure of the amino function for additional reactions.
Used in Bioactive Molecule Synthesis:
(S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-HYDROXYPENTANOATE is also used as a precursor in the synthesis of bioactive molecules, where its unique structure and functional groups contribute to the creation of compounds with potential therapeutic or biological activity.

Check Digit Verification of cas no

The CAS Registry Mumber 126587-35-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,6,5,8 and 7 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 126587-35:
(8*1)+(7*2)+(6*6)+(5*5)+(4*8)+(3*7)+(2*3)+(1*5)=147
147 % 10 = 7
So 126587-35-7 is a valid CAS Registry Number.
InChI:InChI=1/C11H21NO5/c1-11(2,3)17-10(15)12-8(7-13)5-6-9(14)16-4/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1

126587-35-7SDS

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 (S)-Methyl 4-[(tert-butoxycarbonyl)amino]-5-hydroxypentanoate

1.2 Other means of identification

Product number -
Other names (S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-HYDROXYPENTANOATE

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:126587-35-7 SDS

126587-35-7Relevant articles and documents

TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF

-

Paragraph 001011-001012, (2021/12/08)

The present disclosure relates to compounds which modulate the activity of Toll-like receptor (TLR) proteins, including agonists or activators, partial agonists, and antagonists. Of particular interest of compounds that modulate the activity of TLR2, as well as methods of using such compounds to treat cancer and other disorders associated with a TLR2 pathway.

NOVEL JAK1 SELECTIVE INHIBITORS AND USES THEREOF

-

Page/Page column 47; 48, (2018/04/21)

The new 1H-furo[3,2-b]imidazo[4,5-d]pyridine derivatives are selective Jak1 kinase inhibitors useful in treating disorders related to Jak1 activities such as autoimmune diseases or disorders, inflammatory diseases or disorders, and cancer or neoplastic di

Synthesis method of moCys section of marine natural product apratoxin E

-

Paragraph 0012, (2017/01/19)

The invention relates to a synthesis method of moCys section of a marine natural product apratoxin E, and belongs to the field of chemical synthesis. The moCys section (C27 to C30 section) of the marine natural product apratoxin E is prepared from cheap a

PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO

-

Page/Page column 64; 74; 75, (2015/11/24)

This invention relates to processes for preparing a JAKl inhibitor having Formula la: as well as new forms of the inhibitor.

New approach toward the total synthesis of (+)-batzellaside B

Wierzejska, Jolanta,Motogoe, Shin-Ichi,Makino, Yuto,Sengoku, Tetsuya,Takahashi, Masaki,Yoda, Hidemi

, p. 1831 - 1838,8 (2020/09/16)

A new synthetic approach to (+)-batzellaside B from naturally abundant L-pyroglutamic acid is presented in this article. The key synthetic step involves Sharpless asymmetric dihydroxylation of an olefinic substrate functionalized with an acetoxy group to

RENIN INHIBITORS

-

Page/Page column 33-34, (2010/08/07)

Disclosed are aspartic protease inhibitors represented by the following structural formula: and pharmaceutically acceptable salts thereof. These compounds are orally active and bind to aspartic proteases to inhibit their activity. They are useful in the t

HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH

-

Page/Page column 151, (2008/06/13)

Provided herein are Aminopurine Compounds having the following structure: (I) wherein R1 , R2 and and R3 are as defined herein, compositions comprising an effective amount of an Aminopurine Compound and methods for treating or preventing cancer, a cardiovascular disease, a renal disease, an autoimmune condition, an inflammatory condition, macular degeneration, ischemia-reperfusion injury, pain and related syndromes, disease-related wasting, an asbestos-related condition, pulmonary hypertension or a condition treatable or preventable by inhibition of the JNK pathway comprising administering an effective amount of an Aminopurine Compound to a patient in need thereof.

Copper(I) mediated cross-coupling of amino acid derived organozinc reagents with acid chlorides

Hjelmgaard, Thomas,Tanner, David

, p. 1796 - 1805 (2008/02/05)

This paper describes the development of a straightforward experimental protocol for copper-mediated cross-coupling of amino acid derived β-amido-alkylzinc iodides 1 and 3 with a range of acid chlorides. The present method uses CuCN·2LiCl as the copper source and for organozinc reagent 1 the methodology appears to be limited to reaction with more stable acid chlorides, providing the desired products in moderate yields. When applied to organozinc reagent 3, however, the protocol is more general and provides the products in good yields in all but one of the cases tested. The Royal Society of Chemistry 2006.

COMBINATION THERAPY WITH INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE AND ALKYLATING AGENTS

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Page/Page column 61, (2010/02/11)

A combination therapy comprising administration of a carbamoylating chemotherapeutic agent in conjunction with administration of a selective iNOS inhibitor compound is disclosed. Optionally, resection and radiation therapy are provided with the therapeutic combination. A medicament comprising a carbamoylating chemotherapeutic agent and a selective iNOS inhibitor compound together with a pharmaceutically acceptable carrier is further disclosed. A kit comprising a carbamoylating chemotherapeutic agent and a selective iNOS inhibitor compound is further disclosed.

NEW HETEROCYCLIC AMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM

-

Page 51, (2010/11/30)

The present invention relates to novel heterocyclic compounds that inhibit phosphodiesterase type 4 (PDE 4). The compounds are useful for treating inflammatory conditions, diseases of the central nervous systems and insulin resistant diabetes.

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