ChemicalBook > CAS DataBase List > (S)-1-Boc-3-methylpiperazine
(S)-1-Boc-3-methylpiperazine
- Product Name
- (S)-1-Boc-3-methylpiperazine
- CAS No.
- 147081-29-6
- Chemical Name
- (S)-1-Boc-3-methylpiperazine
- Synonyms
- tert-butyl (S)-3-methylpiperazine-1-carboxylate;(S)-1-BOC-3-METHYLPIPERAZINE;(S)-TERT-BUTYL 3-METHYLPIPERAZINE-1-CARBOXYLATE;(S)-4-Boc-2-methylpiperazine;4-HYDROXY-7-METHOXYQUINOLINE-2-CARBOXYLIC ACID;4-Hydroxy-7-methoxy-2-quinolinecarboxylic acid;CPD2809-SM;(3S)-3-MethyL;(S)-4-N-BOC-2-METHYL;Sotorasib Impurity 2
- CBNumber
- CB9458934
- Molecular Formula
- C10H20N2O2
- Formula Weight
- 200.28
- MOL File
- 147081-29-6.mol
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(S)-1-Boc-3-methylpiperazine Property
- Melting point:
- 40-45 °C
- Boiling point:
- 268.7±15.0 °C(Predicted)
- alpha
- -16 º (c=1 in dioxane)
- Density
- 0.997±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,2-8°C
- pka
- 8.52±0.40(Predicted)
- form
- Crystalline Powder
- color
- White to yellow
- optical activity
- [α]/D -16±2°, c = 1 in dioxane
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
- InChIKey
- FMLPQHJYUZTHQS-QMMMGPOBSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCN[C@@H](C)C1
- CAS DataBase Reference
- 147081-29-6(CAS DataBase Reference)
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Safety
- Hazard Codes
- Xi
- Risk Statements
- 37/38-41-34
- Safety Statements
- 26-39-45-36/37/39
- RIDADR
- 3259
- WGK Germany
- 3
- F
- 10-34
- HS Code
- 29335990
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H315Causes skin irritation
H318Causes serious eye damage
H335May cause respiratory irritation
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
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N-Bromosuccinimide Price
Sigma-Aldrich
- Product number
- 63207
- Product name
- (S)-1-Boc-3-methylpiperazine
- Purity
- ≥98%
- Packaging
- 1g
- Price
- $37.6
- Updated
- 2025/07/31
Sigma-Aldrich
- Product number
- 63207
- Product name
- (S)-1-Boc-3-methylpiperazine
- Purity
- ≥98%
- Packaging
- 5G
- Price
- $78.4
- Updated
- 2025/07/31
TCI Chemical
- Product number
- D6010
- Product name
- (S)-1-Boc-3-methylpiperazine
- Purity
- min. 98.0 %
- Packaging
- 5G
- Price
- $47
- Updated
- 2025/07/31
TCI Chemical
- Product number
- D6010
- Product name
- (S)-1-Boc-3-methylpiperazine
- Purity
- min. 98.0 %
- Packaging
- 25G
- Price
- $142
- Updated
- 2025/07/31
TRC
- Product number
- B656830
- Product name
- (S)-4-Boc-2-methylpiperazine
- Packaging
- 25g
- Price
- $305
- Updated
- 2021/12/16
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(S)-1-Boc-3-methylpiperazine Chemical Properties,Usage,Production
Description
(S)-1-Boc-3-methylpiperazine is a hydrophobic compound that is structurally modified from the tetracyclic family of drugs. It has been shown to inhibit tumor cell growth by binding to the oncogene, KRASG12C, and downregulating its expression. This compound also inhibits cancer cell growth through the inhibition of the PI3K/AKT signaling pathway. The pharmacological effects of (S)-1-Boc-3-methylpiperazine are dependent on its ability to bind with high affinity to KRASG12C and inhibit its activity.
Chemical Properties
colorless to yellow liquid
Uses
Laboratory chemicals, Manufacture of substances.
Uses
Reactant involved in the synthesis of biologically activy molecules including:
- CCR5 antagonists with anti-HIV-1 activity
- Opioid receptor antagonists
- Human growth hormone secretagogue receptor antagonists for treatment of obesity
- Fatty acid oxidation inhibitors
Uses
(S)-4-Boc-2-methylpiperazine ((S)-1-Boc-3-methylpiperazine) is a reagent used in the synthesis of benzamide peptidomimetic as non-ATP competitive inihbitors.
Synthesis
24424-99-5
74879-18-8
147081-29-6
At 0 °C, (S)-2-methylpiperazine (400 mg) was dissolved in dichloromethane (20 mL) and di-tert-butyl dicarbonate (871 mg) was slowly added. The reaction mixture was stirred at room temperature for 4 hours. Upon completion of the reaction, the reaction was quenched with deionized water (20 mL) followed by extraction with dichloromethane (2 x 40 mL). The organic phases were combined, washed with saturated sodium chloride solution (40 mL), dried over anhydrous magnesium sulfate, and concentrated under reduced pressure to afford (S)-4-N-tert-butoxycarbonyl-2-methylpiperazine as a white solid (669 mg, 84% yield).
References
[1] Organic Process Research and Development, 2018, vol. 22, # 8, p. 978 - 990
[2] Patent: US2008/76758, 2008, A1. Location in patent: Page/Page column 88
[3] Patent: WO2008/70740, 2008, A1. Location in patent: Page/Page column 184
[4] Patent: US2005/261310, 2005, A1. Location in patent: Page/Page column 19
[5] Patent: WO2018/109050, 2018, A1. Location in patent: Paragraph 0226-0230; 0234-0236; 0240-0241
(S)-1-Boc-3-methylpiperazine Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from (S)-1-Boc-3-methylpiperazine manufacturers
Hefei Lbao Physical & Chemical Science Co.,Ltd
- Product
- (S)-tert-Butyl 3-methylpiperazine-1-carboxylate 147081-29-6
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- Customise
- Release date
- 2025-10-28
Henan Aochuang Chemical Co.,Ltd.
- Product
- (S)-4-N-Boc-2-methylpiperazine 147081-29-6
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-10-08
Shanghai UCHEM Inc.
- Product
- (S)-4-N-Boc-2-methylpiperazine 147081-29-6
- Price
- US $37.00-788.00/g
- Min. Order
- 10g
- Purity
- 0.99
- Supply Ability
- 25kg
- Release date
- 2023-12-15
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