(R)-1-Boc-3-methylpiperazine (HCID 2756811)

Names & identifiers

Preferred name: (R)-1-Boc-3-methylpiperazine
IUPAC: tert-butyl (3R)-3-methylpiperazine-1-carboxylate
English name: (R)-1-Boc-3-methylpiperazine
Molecular formula: C10H20N2O2
Molecular weight: 200.28

Names & synonyms

(R)-1-Boc-3-methylpiperazineRefChem:407122627-658-7163765-44-4(R)-4-N-Boc-2-methylpiperazinetert-butyl (3R)-3-methylpiperazine-1-carboxylate(R)-4-Boc-2-methylpiperazine(r)-1-boc-3-methyl-piperazine(r)-4-n-boc-2-methyl-piperazine(r)-tert-butyl 3-methylpiperazine-1-carboxylateMFCD02683205TERT-BUTYL (R)-3-METHYLPIPERAZINE-1-CARBOXYLATE

Show more names

CAS:163765-44-4(R)-4-Boc-2-Methylpi(R)-N-BOC-2-METHYLPIPERAZINE(R)-N4-BOC-2-METHYLPIPERAZINE

1-PIPERAZINECARBOXYLIC ACID, 3-METHYL-, 1,1-DIMETHYLETHYL ESTER, (3R)-(r)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester1,1-dimethylethyl (3R)-3-methyl-1-piperazinecarboxylate(3r)-1-boc-3-methylpiperazine(R)-4-Boc-2-methyl piperazine2BDT5MCJ7CSCHEMBL105348orb2940201

Database identifiers

CAS: 163765-44-4
PubChem CID: 2756811
DTXSID: DTXSID70373556
UNII: 2BDT5MCJ7C
EC Number: 627-658-7
Nikkaji: J2.822.173H

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 211

Physicochemical properties

Melting point: 40 · 40-45 °C
Boiling point: 268.7 · 268.7±15.0 °C(Predicted)
Density: 0.997 · 0.997±0.06 g/cm3(Predicted)
Flash point: 223 °F · 223 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.52 · 8.52±0.40(Predicted)
form: Crystalline Powder
color: White
optical activity: 16 · [α]/D +16±2°, c = 1 in dioxane
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-/m1/s1
InChIKey: FMLPQHJYUZTHQS-MRVPVSSYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN[C@H](C)C1
CAS DataBase Reference: 163765 · 163765-44-4(CAS DataBase Reference)
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 37 · 37/38-41-36/37/38
Safety Statements: 26 · 26-39-37/39
WGK Germany: 3 · 3
F: 10 · 10-34
HS Code: 29335990 · 29335990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (86%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (14%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (86%)；Eye Irrit. 2 (14%)；STOT SE 3 (98%)

Safety data

F: 10-34
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29335990
risk_code: 37/38-41-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-39-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses(R)-4-Boc-2-methylpiperazine is a reagent used in organic synthesis. Used in the synthesis of orally bioavailable inhibitors of 11-β-hydroxysteroid. (R)-4-Boc-2-methylpiperazine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.