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Heptanoic acid, 7-bromo-, 1,1-dimethylethyl ester is a chemical compound with the formula C12H23BrO2. It is an ester of 7-bromoheptanoic acid and 1,1-dimethylethyl alcohol, known for its unique chemical properties and applications across different industries.

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  • 51100-47-1 Structure
  • Basic information

    1. Product Name: Heptanoic acid, 7-bromo-, 1,1-dimethylethyl ester
    2. Synonyms: t-butyl 7-bromoheptanoate;Heptanoic acid,7-bromo-,1,1-dimethylethyl ester;7-bromoheptanoic acid t-butyl ester;t-butyl 7-bromoheptonate;tert-butyl-1-bromoheptanoate;
    3. CAS NO:51100-47-1
    4. Molecular Formula: C11H21BrO2
    5. Molecular Weight: 265.191
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 51100-47-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 274.7±23.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: 1.169±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Heptanoic acid, 7-bromo-, 1,1-dimethylethyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: Heptanoic acid, 7-bromo-, 1,1-dimethylethyl ester(51100-47-1)
    11. EPA Substance Registry System: Heptanoic acid, 7-bromo-, 1,1-dimethylethyl ester(51100-47-1)
  • 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: 51100-47-1(Hazardous Substances Data)

51100-47-1 Usage

Uses

Used in Chemical Synthesis Industry:
Heptanoic acid, 7-bromo-, 1,1-dimethylethyl ester is used as a raw material for the synthesis of other chemicals. Its unique structure allows it to be a valuable intermediate in the production of various compounds, contributing to the development of new chemical products.
Used as a Flavoring Agent in Food Industry:
Heptanoic acid, 7-bromo-, 1,1-dimethylethyl ester is utilized as a flavoring agent in some food products. Its distinct properties enable it to enhance the taste and aroma of certain foods, providing a unique flavor profile to the final product.
Safety Precautions:
It is crucial to handle Heptanoic acid, 7-bromo-, 1,1-dimethylethyl ester with care, as it can be hazardous if not used properly. Proper safety measures should be taken to minimize any risks associated with its use, ensuring the well-being of individuals and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 51100-47-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,1,0 and 0 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 51100-47:
(7*5)+(6*1)+(5*1)+(4*0)+(3*0)+(2*4)+(1*7)=61
61 % 10 = 1
So 51100-47-1 is a valid CAS Registry Number.

51100-47-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 7-bromoheptanoate

1.2 Other means of identification

Product number -
Other names t-butyl 7-bromoheptanoate

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:51100-47-1 SDS

51100-47-1Relevant articles and documents

RAS PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS

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Paragraph 0258, (2021/03/19)

Provided herein are RAS protein degraders, e.g., a compound of Formula (I), and pharmaceutical compositions thereof. Also provided herein are methods of their use for treating, preventing, or ameliorating one or more symptoms of a RAS-mediated disorder, disease, or condition.

MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES

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Page/Page column 259-260, (2021/11/06)

The present disclosure relates to novel compounds for use in therapeutic treatement of a disease associated with peptidylarginine deiminases (PADs), such as peptidylarginine deiminase type 4 (PAD4). The present disclosure also relates to processes and intermediates for the preparation of such compounds, methods of using such compounds and pharmaceutical compositions comprising the compounds described herein.

A Bioorthogonal Click Chemistry Toolbox for Targeted Synthesis of Branched and Well-Defined Protein–Protein Conjugates

Baalmann, Mathis,Bitsch, Sebastian,Deweid, Lukas,Ilkenhans, Nadja,Kolmar, Harald,Neises, Laura,Schneider, Hendrik,Werther, Philipp,Wilhelm, Jonas,Wolfring, Martin,Wombacher, Richard,Ziegler, Michael J.

supporting information, p. 12885 - 12893 (2020/06/02)

Bioorthogonal chemistry holds great potential to generate difficult-to-access protein–protein conjugate architectures. Current applications are hampered by challenging protein expression systems, slow conjugation chemistry, use of undesirable catalysts, or often do not result in quantitative product formation. Here we present a highly efficient technology for protein functionalization with commonly used bioorthogonal motifs for Diels–Alder cycloaddition with inverse electron demand (DAinv). With the aim of precisely generating branched protein chimeras, we systematically assessed the reactivity, stability and side product formation of various bioorthogonal chemistries directly at the protein level. We demonstrate the efficiency and versatility of our conjugation platform using different functional proteins and the therapeutic antibody trastuzumab. This technology enables fast and routine access to tailored and hitherto inaccessible protein chimeras useful for a variety of scientific disciplines. We expect our work to substantially enhance antibody applications such as immunodetection and protein toxin-based targeted cancer therapies.

Discovery of ERD-308 as a Highly Potent Proteolysis Targeting Chimera (PROTAC) Degrader of Estrogen Receptor (ER)

Hu, Jiantao,Hu, Biao,Wang, Mingliang,Xu, Fuming,Miao, Bukeyan,Yang, Chao-Yie,Wang, Mi,Liu, Zhaomin,Hayes, Daniel F.,Chinnaswamy, Krishnapriya,Delproposto, James,Stuckey, Jeanne,Wang, Shaomeng

, p. 1420 - 1442 (2019/01/30)

The estrogen receptor (ER) is a validated target for the treatment of estrogen receptor-positive (ER+) breast cancer. Here, we describe the design, synthesis, and extensive structure-activity relationship (SAR) studies of small-molecule ERα degraders base

Synthesis and Antileukemic Activities of Piperlongumine and HDAC Inhibitor Hybrids against Acute Myeloid Leukemia Cells

Liao, Yi,Niu, Xiaojia,Chen, Bailing,Edwards, Holly,Xu, Liping,Xie, Chengzhi,Lin, Hai,Polin, Lisa,Taub, Jeffrey W.,Ge, Yubin,Qin, Zhihui

, p. 7974 - 7990 (2016/09/23)

Synergistic-to-additive antileukemic interactions of piperlongumine (PL) and HDAC inhibitor (HDACi) SAHA (Vorinostat) provide a compelling rationale to construct PL-HDACi hybrids, such as 1-58, which recapitulated the synergism between the parental compounds in high-risk and chemoresistant AML cells. Both PL and HDACi components, either in combination or in hybrid molecules, are essential for inducing significant DNA damage and apoptosis. Introducing C2-chloro substituent to 1-58 yielded 3-35 with increased cytotoxicity but decreased selectivity in noncancerous MCF-10A cells; eliminating C7-C8 olefin of PL obtained 3-31/3-98 scaffolds which were still more active than PL or SAHA in AML and were well-tolerated by MCF-10A cells. The HDACi function was crucial for modulating expression of DNA repair and apoptosis-related proteins. Collectively, PL and SAHA hybrids are potent, multifunctional anti-AML agents, acting in part, by interfering cellular GSH defense, suppressing expression of DNA repair and pro-survival proteins, and inducing expression of pro-apoptotic proteins.

Carboxy-imidazole derivatives, compositions and use

-

, (2008/06/13)

The imidazole derivatives of the general formula: STR1 [wherein m represents an integer of 4 to 9, R1 represents a hydrogen atom or a straight- or branched-chain alkyl group containing from 1 to 12 carbon atoms, and one of R2 and R3 represents a hydrogen atom, and the other represents a halogen atom or a phenyl group, or R2 and R3 together represent --(CH2)n --(in which n represents an integer of 4 to 6) or represent =CH2 ] and non-toxic salts thereof, which have a specifically inhibitory effect on the biosynthesis of thromboxane A2 (abbreviated as TXA2 hereafter) and are, therefore, useful as treating agents for diseases caused by TXA2 such as inflammation, cerebral apoplexy, myocardial infarction, acute cardiac death, cardiostenosis and thrombus etc.

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