(R)-1-BOC-3-(Hydroxymethyl)piperazine Property

Melting point:

68-70°C

Boiling point:

322.9±22.0 °C(Predicted)

Density 

1.085±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Solid

pka

14.97±0.10(Predicted)

color 

White to Off-White

InChI

InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13/h8,11,13H,4-7H2,1-3H3/t8-/m1/s1

InChIKey

NSILYQWHARROMG-MRVPVSSYSA-N

SMILES

N1(C(OC(C)(C)C)=O)CCN[C@@H](CO)C1

CAS DataBase Reference

278788-66-2(CAS DataBase Reference)

Safety

Hazard Codes 

Xi

Risk Statements 

41-52

Safety Statements 

26-39

HS Code 

2933599590

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

(R)-1-BOC-3-(Hydroxymethyl)piperazine Chemical Properties,Usage,Production

Uses

(R)-1-Boc-3-hydroxymethylpiperazine is a used as a building block for the preparation of PI3K inhibitors for rheumatoid arthritis treatment,benzoxaborole derivatives as antimalarial agents and anti-tuberculosis agents.

Synthesis

1,4-bis-Boc-2-hydroxymethylpiperazine (13.9 kg) and 95% ethanol (30 kg) were added to the reactor, followed by the addition of an aqueous solution (water 21 kg) of configured sodium hydroxide (3.5 kg). The reaction mixture was then heated to reflux. Once the reaction was completed, ethanol was concentrated under reduced pressure. Subsequently, 30 kg of dichloromethane was added and the mixture was separated into liquid and aqueous phases. The aqueous phase was extracted three times with 3 × 20 kg of dichloromethane, and the organic phases were combined. The resulting solution was washed once with 40 kg of a 15% aqueous sodium chloride solution and dried with anhydrous sodium sulfate. Further purification was carried out to obtain (R)-1-BOC-3-(Hydroxymethyl)piperazine.