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1-BOC-3,5-DIMETHYL-PIPERAZINE is a heterocyclic derivative that serves as a crucial pharmaceutical intermediate due to its unique chemical structure and properties.

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  • 1-Piperazinecarboxylicacid, 3,5-dimethyl-, 1,1-dimethylethyl ester, (3R,5S)-rel-

    Cas No: 129779-30-2

  • USD $ 1.9-2.9 / Gram

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  • 129779-30-2 Structure
  • Basic information

    1. Product Name: 1-BOC-3,5-DIMETHYL-PIPERAZINE
    2. Synonyms: (3R,5S)-3,5-DIMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-BOC-3,5-DIMETHYL-PIPERAZINE;1-BOC-CIS-3,5-DIMETHYL-PIPERAZINE;CIS-3,5-DIMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;5-DiMethyl-piperazine-1-carboxylic acid tert-butyl ester;cis-3;1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5S)-;(3R,5S)-rel-tert-Butyl 3,5-diMethylpiperazine-1-carboxylate
    3. CAS NO:129779-30-2
    4. Molecular Formula: C11H22N2O2
    5. Molecular Weight: 214.3
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 129779-30-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 279.7±15.0℃ (760 Torr)
    3. Flash Point: 123.0±20.4℃
    4. Appearance: /
    5. Density: 0.970±0.06 g/cm3 (20 ºC 760 Torr)
    6. Vapor Pressure: 0.004mmHg at 25°C
    7. Refractive Index: 1.452
    8. Storage Temp.: -20°C
    9. Solubility: N/A
    10. PKA: 8.58±0.60(Predicted)
    11. CAS DataBase Reference: 1-BOC-3,5-DIMETHYL-PIPERAZINE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-BOC-3,5-DIMETHYL-PIPERAZINE(129779-30-2)
    13. EPA Substance Registry System: 1-BOC-3,5-DIMETHYL-PIPERAZINE(129779-30-2)
  • Safety Data

    1. Hazard Codes: N
    2. Statements: 36/37/38-50
    3. Safety Statements: 26-61
    4. RIDADR: UN3077
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 129779-30-2(Hazardous Substances Data)

129779-30-2 Usage

Uses

Used in Pharmaceutical Industry:
1-BOC-3,5-DIMETHYL-PIPERAZINE is used as a pharmaceutical intermediate for the development of various drugs, particularly in the synthesis of 7-(3-(Piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives. These derivatives have been identified as highly potent, selective, and orally bioavailable PI3Kδ inhibitors, which play a significant role in the treatment of various diseases, including cancer and autoimmune disorders.
In the field of medicinal chemistry, 1-BOC-3,5-DIMETHYL-PIPERAZINE's unique structure allows for the creation of novel compounds with potential therapeutic applications, making it a valuable asset in drug discovery and development processes.

Check Digit Verification of cas no

The CAS Registry Mumber 129779-30-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,9,7,7 and 9 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 129779-30:
(8*1)+(7*2)+(6*9)+(5*7)+(4*7)+(3*9)+(2*3)+(1*0)=172
172 % 10 = 2
So 129779-30-2 is a valid CAS Registry Number.
InChI:InChI=1/C11H22N2O2/c1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+

129779-30-2SDS

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 (3R,5S)-rel-tert-Butyl 3,5-dimethylpiperazine-1-carboxylate

1.2 Other means of identification

Product number -
Other names 1-BOC-3,5-DIMETHYL-PIPERAZINE

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:129779-30-2 SDS

129779-30-2Relevant articles and documents

TRICYCLIC INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF

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Paragraph 00321, (2019/07/13)

The present application relates to compounds of Formula (I) or pharmaceutically acceptable salts, solvates and/or prodrugs thereof, to compositions comprising these compounds or pharmaceutically acceptable salts, solvates and/or prodrugs thereof, and various uses in the treatment of diseases, disorders or conditions that are treatable by inhibiting interactions with BCL6 BTB, such as cancer.

Amino pyrimidine compound and preparation method and application thereof

-

Paragraph 0165; 0168; 0169; 0170, (2018/11/22)

The invention relates to an amino pyrimidine compound and a preparation method and application thereof. The amino pyrimidine compound has a structure as shown in a formula I. The formula is shown in the description. The compound is an inhibitor of an epidermal growth factor receptor (EGFR) kinase. The invention further relates to a medicine composition comprising the compound, a preparation methodand application thereof in preparation of anti-tumor medicines.

BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION

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Paragraph 0132, (2017/02/24)

The present invention relates to certain bis-heteroaryl compounds, pharmaceutical compositions containing them, and methods of using them, including methods for preventing, reversing, slowing, or inhibiting protein aggregation, and methods of treating diseases that are associated with protein aggregation, including neurodegenerative diseases such as Parkinson's disease, Alzheimer's disease, Lewy body disease, Parkinson's disease with dementia, fronto- temporal dementia, Huntington's Disease, amyotrophic lateral sclerosis, and multiple system atrophy, and cancer including melanoma.

Quinazolinone PARP-1 inhibitors, medicinal composition containing inhibitors, and antitumor use of inhibitors

-

Paragraph 0218; 0219; 0220, (2016/10/08)

The invention discloses quinazolinyl-2,4(1H,3H)-dione PARP-1 inhibitors, and a preparation method, a medicinal composition and a use thereof. The invention concretely relates to quinazolinyl-2,4(1H,3H)-dione derivatives represented by general formula I, a medicinal salt and a preparation method thereof, a composition containing one or more of the compounds, and a use of the compounds in the preparation of tumor prevention and/or treatment medicines.

Small Molecule Antagonists of the Nuclear Androgen Receptor for the Treatment of Castration-Resistant Prostate Cancer

Johnson, James K.,Skoda, Erin M.,Zhou, Jianhua,Parrinello, Erica,Wang, Dan,O'Malley, Katherine,Eyer, Benjamin R.,Kazancioglu, Mustafa,Eisermann, Kurtis,Johnston, Paul A.,Nelson, Joel B.,Wang, Zhou,Wipf, Peter

supporting information, p. 785 - 790 (2016/08/24)

After a high-throughput screening campaign identified thioether 1 as an antagonist of the nuclear androgen receptor, a zone model was developed for structure-activity relationship (SAR) purposes and analogues were synthesized and evaluated in a cell-based luciferase assay. A novel thioether isostere, cyclopropane (1S,2R)-27, showed the desired increased potency and structural properties (stereospecific SAR response, absence of a readily oxidized sulfur atom, low molecular weight, reduced number of flexible bonds and polar surface area, and drug-likeness score) in the prostate-specific antigen luciferase assay in C4-2-PSA-rl cells to qualify as a new lead structure for prostate cancer drug development.

5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS

-

Paragraph 0196, (2016/07/27)

The present invention discloses compounds according to Formula (I), wherein R, R2, R3a, R3b, and Cy are as defined herein. The present invention discloses compounds inhibiting ADAMTS, methods for their production, pharmaceutical compositions comprising the same and methods for the prophylaxis and/or treatment of inflammatory conditions and/or diseases involving degradation of cartilage and/or disruption of cartilage homeostasis.

NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME

-

Paragraph 2035; 2036, (2015/10/05)

The present invention relates to novel compounds having histone deacetylase 6 (HDAC6) inhibitory activity, isomers thereof, or pharmaceutically acceptable salts thereof, the use thereof for the preparation of therapeutic medicaments, pharmaceutical compositions comprising the same, a method of treating disease using the composition, and methods for preparing the novel compounds. The novel compounds according to the present invention have histone deacetylase 6 (HDAC6) inhibitory activity, and are effective for the prevention or treatment of HDAC6-associated diseases, including cancer, inflammatory diseases, autoimmune diseases, neurological diseases and neurodegenerative disorders.

COMPOUND FOR INHIBITING TYPE 5 PHOSPHODIESTERASE AND PREPARATION METHOD THEREOF

-

Paragraph 0016; 0024; 0025, (2013/05/22)

The present invention discloses a compound of formula (I) and citrate thereof as type 5 phosphodiesterase inhibitor, a preparation method thereof, and a pharmaceutical composition including the compound of formula (I) and citrate thereof. The experimental results of the present invention prove that the compound of formula (I) and citrate thereof can inhibit activity of type 5 phosphodiesterase, and can be used for treating erectile dysfunction, inhibiting platelet aggregation and treating thrombosis, decreasing pulmonary hypertension and treating cardiovascular diseases, treating asthma and treating diabetes gastroparesis.

COMPOUND FOR INHIBITING TYPE 5 PHOSPHODIESTERASE AND PREPARATION METHOD THEREOF

-

Paragraph 0024; 0025, (2013/05/21)

The present invention discloses a compound of formula (I) and citrate thereof as type 5 phosphodiesterase inhibitor, a preparation method thereof, and a pharmaceutical composition including the compound of formula (I) and citrate thereof. The experimental results of the present invention prove that the compound of formula (I) and citrate thereof can inhibit activity of type 5 phosphodiesterase, and can be used for treating erectile dysfunction, inhibiting platelet aggregation and treating thrombosis, decreasing pulmonary hypertension and treating cardiovascular diseases, treating asthma and treating diabetes gastroparesis.

N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES

-

Page/Page column 32, (2009/10/30)

The present invention relates to N-benzyl,N′-arylcarbonylpiperazine derivatives having the general formula I to pharmaceutical compositions comprising the same, and to the use of a these N-benzyl,N′-arylcarbonylpiperazine derivatives for the manufacture o

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