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Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI) is a chemical compound that belongs to the thiazoles family, which are aromatic heterocyclic compounds with a five-membered ring containing one nitrogen atom and one sulfur atom. As an ester, it is formed through the reaction between an alcohol and an acid. Its unique structure indicates potential applications in organic synthesis for creating more complex chemical structures. However, the compound's properties, including reactivity, stability, and toxicity, must be thoroughly evaluated for specific uses.

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  • 170961-15-6 Structure
  • Basic information

    1. Product Name: Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI)
    2. Synonyms: 2-t-butoxycarbonylamino-1,3-thiazole;Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI);N-Boc-2-AMinothiazole;2-(tert-ButoxycarbonylaMino)thiazole;1-(Boc-aMino)thiazole, 97%;Thiazol-2-yl-carbaMic acid tert-butyl ester;2-(Boc-aMino)thiazole, 97%;CarbaMic acid, 2-thiazolyl-
    3. CAS NO:170961-15-6
    4. Molecular Formula: C8H12N2O2S
    5. Molecular Weight: 200.25808
    6. EINECS: N/A
    7. Product Categories: N-BOC
    8. Mol File: 170961-15-6.mol
  • Chemical Properties

    1. Melting Point: 180-185℃
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.242±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 5.25±0.70(Predicted)
    10. CAS DataBase Reference: Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI)(170961-15-6)
    12. EPA Substance Registry System: Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI)(170961-15-6)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 22-43
    3. Safety Statements: 36/37
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 170961-15-6(Hazardous Substances Data)

170961-15-6 Usage

Uses

Used in Organic Synthesis:
Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI) is used as a synthetic intermediate for the development of more complex chemical structures in the field of organic synthesis. Its unique configuration allows for the creation of various compounds with potential applications in different industries.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI) can be used as a building block for the synthesis of new pharmaceutical compounds. Its heterocyclic nature and ester functionality may contribute to the development of novel drugs with specific therapeutic properties.
Used in Agrochemical Industry:
Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI) may also find applications in the agrochemical industry, where it can be used as a precursor for the synthesis of new pesticides or other agrochemicals. Its unique structure could potentially lead to the development of more effective and environmentally friendly products.
Used in Material Science:
In the field of material science, Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI) could be utilized in the development of new materials with specific properties. Its heterocyclic structure and ester functionality may contribute to the creation of materials with unique characteristics, such as improved stability, reactivity, or other desirable properties.

Check Digit Verification of cas no

The CAS Registry Mumber 170961-15-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,0,9,6 and 1 respectively; the second part has 2 digits, 1 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 170961-15:
(8*1)+(7*7)+(6*0)+(5*9)+(4*6)+(3*1)+(2*1)+(1*5)=136
136 % 10 = 6
So 170961-15-6 is a valid CAS Registry Number.

170961-15-6 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Alfa Aesar

  • (H58561)  2-(Boc-amino)thiazole, 97%   

  • 170961-15-6

  • 5g

  • 2184.0CNY

  • Detail
  • Alfa Aesar

  • (H58561)  2-(Boc-amino)thiazole, 97%   

  • 170961-15-6

  • 30g

  • 8736.0CNY

  • Detail
  • Aldrich

  • (723649)  N-Boc-2-aminothiazole  95%

  • 170961-15-6

  • 723649-1G

  • 661.05CNY

  • Detail

170961-15-6SDS

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 tert-Butyl thiazol-2-ylcarbamate

1.2 Other means of identification

Product number -
Other names tert-Butyl N-(1,3-thiazol-2-yl)carbamate

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:170961-15-6 SDS

170961-15-6Relevant articles and documents

Nanoceria as an efficient and green catalyst for the chemoselective N-tert-butyloxycarbonylation of amines under the solvent-free conditions

Garad, Dnyaneshwar N.,Ingale, Ajit P.,Shinde, Sandeep V.,Ukale, Dattatraya

supporting information, p. 1656 - 1668 (2021/04/05)

Nanocerium oxide mediated an efficient and green protocol has been described for the chemoselective N-tert-butyloxycarbonylation of amines under the solvent-free conditions at ambient temperature. Various aliphatic, aromatic and heteroaromatic amines were protected using developed protocol and several functional groups such as alcohol, phenol and ester were well tolerated under these conditions. The rapid reaction rate, mild conditions, very good functional group tolerance, excellent yield, solvent-free, easy recovery products and excellent catalyst recyclability are the advantages of this protocol. This makes the protocol feasible, economical and environmentally benign.

Sulfated tungstate: A highly efficient, recyclable and ecofriendly catalyst for chemoselective N-tert butyloxycarbonylation of amines under the solvent-free conditions

Ingale, Ajit P.,Shinde, Sandeep V.,Thorat, Nitin M.

supporting information, p. 2528 - 2543 (2021/07/02)

Sulfated tungstate catalyzed an efficient and ecofriendly protocol has been described for the chemoselective N-tert-butyloxycarbonylation of amines under the solvent-free conditions at room temperature. The variety of functionalized aliphatic, aromatic and heteroaromatic amines efficiently undergoes the N-tert-butyloxycarbonylation under the developed protocol. The aminoalcohol, aminophenol, aminoester as well as various chiral amines underwent the chemoselective N-Boc protection under the optimized reaction condition. The rapid reaction rate, mild conditions, very good functional group tolerance, excellent yield, solvent-free, easy recovery products and excellent catalyst recyclability are the advantages of this protocol. This makes the protocol feasible, economical and environmentally benign.

COMPOUNDS AND USES THEREOF

-

Page/Page column 335-336; 332; 356, (2020/10/20)

The present invention features compounds useful in the treatment of neurological disorders and primary brain cancer. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders and primary brain cancer.

COMPOUNDS AND USES THEREOF

-

Page/Page column 325; 328-329; 350, (2019/10/15)

The present invention features compounds useful in the treatment of neurological disorders. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders.

Design and synthesis of aminothiazole based Hepatitis B Virus (HBV) capsid inhibitors

Pan, Ting,Ding, Yanchao,Wu, Liyang,Liang, Liting,He, Xin,Li, Qianwen,Bai, Chuan,Zhang, Hui

, p. 480 - 501 (2019/02/12)

The capsid assembly is an essential step for Hepatitis B Virus (HBV) life cycle and is an important target for anti-HBV drug development. In this report, we identified a hit compound with aminothiazole structure by the high throughput screening (HTS) which inhibited the interaction of HBV capsid protein within the cells. The structure hopping and SAR studies of the hit compound afforded compound 79 with potent anti-HBV replication activity and good basic drug-like properties. The working mechanism studies showed that compound 79 could bind to the similar binding site of known HBV capsid inhibitor with heteroaryldihydropyrimidine (HAP) scaffold, through similar hydrophobic interactions but with a different hydrogen bond. This compound exerted potent inhibitory effect upon HBV production, either in cell culture or in mice with no obvious acute toxicity. We propose that further development of this compound could lead to novel potent anti-HBV inhibitors that target HBV capsid assembly.

Chemoselective: N-tert -butyloxycarbonylation of amines in glycerol

Ingale, Ajit P.,More, Vishal K.,Gangarde, Uddhav S.,Shinde, Sandeep V.

supporting information, p. 10142 - 10147 (2018/06/18)

A catalyst-free, efficient and green protocol has been developed for the chemoselective N-Boc protection of amines by using glycerol as a solvent at room temperature. A variety of functionalized amines, such as aliphatic, aromatic as well as heteroaromatic were protected using the developed protocol. N-tert-Butyloxycarbonylation derivatives were formed without the formation of isocyanate, urea, N,N-di-t-Boc, or oxazolidinone as side products. The operational simplicity, cleaner reaction, rapid reaction convergence, functional group tolerance, excellent yield, high selectivity, catalyst-free feature and solvent recyclability are the distinct advantages of this protocol. Owing to these merits, this protocol is feasible, economical and environmentally benign.

INHIBITORS OF HEAT SHOCK FACTORS AND USES THEREOF

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Page/Page column 59; 60, (2018/04/13)

The present disclosure relates to a class of mammalian heat shock factor (HSF) inhibitors, to pharmaceutical compositions comprising these inhibitors as well as to methods for using the inhibitors. The inhibitors inhibit stress-induced expression from heat shock gene promoters. Furthermore, the inhibitors are cytotoxic to a variety of human cancer cells types.

Design and synthesis of novel dasatinib derivatives as inhibitors of leukemia stem cells

Li, Hui-ying,He, Ding-Di,Zhao, Xiu-Juan,Sun, Tong-Yan,Zhang, Quan,Bai, Cui-Gai,Chen, Yue

supporting information, p. 700 - 706 (2018/02/06)

We used the concept of bioisosteres to design and synthesize a novel series of dasatinib derivatives for the treatment of leukemia. Unfortunately, most of the dasatinib derivatives did not show appreciable inhibition against leukemia cell lines K562 and H

ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS

-

Page/Page column 111, (2018/02/27)

The present invention relates to a compound of the general formula (1). The compound of formula (1) is suitable for use in a method for treating a disorder relating to the binding of a galectin, such as galectin-1 to a ligand in a mammal, such as a human. Furthermore, the present invention concerns a method for treatment of a disorder relating to the binding of a galectin, such as galectin-1 to a ligand in a mammal, such as a human.

Thiazole heterocyclic compounds, and preparation method and application thereof

-

Paragraph 0169; 0171; 0172; 0173, (2017/07/01)

The invention provides thiazole heterocyclic compounds, and a preparation method and application thereof. The thiazole heterocyclic compounds have a general structural formula as described in the specification. Results of cell-level experiments show that the thiazole heterocyclic compounds provided by the invention can inhibit proliferation of K562, HL60 and KGla cells. In particular, the compound (compound 4c) in an embodiment 3 can also inhibit proliferation of K562, HL60 and KGla cells under the condition that the concentration of the compound is lower than the concentration of a positive control drug dasatinib. Thus, the thiazole heterocyclic compounds provided by the invention can be used for treating leukemia.

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