(2S)-2,5-Dihydro-2-isopropyl-3,6-dimethoxypyrazine

HCID 736065

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 78342-42-4
표준 SMILES: COC1=N[C@@H](C(C)C)C(OC)=NC1
InChIKey: FCFWEOGTZZPCTO-QMMMGPOBSA-N
분자식: C9H16N2O2
평균 분자량: 184.24 g/mol
단동위원소 질량: 184.12117775

이름 및 식별자

우선 이름: (2S)-2,5-Dihydro-2-isopropyl-3,6-dimethoxypyrazine
IUPAC: (2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine
영어명: (2S)-(+)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine
분자식: C9H16N2O2
분자량: 184.24

이름 및 동의어

(2S)-2,5-Dihydro-2-isopropyl-3,6-dimethoxypyrazineRefChem:397873680-195-278342-42-4(S)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine(S)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine(2S)-(+)-2,5-DIHYDRO-3,6-DIMETHOXY-2-ISOPROPYLPYRAZINE(2s)-2-isopropyl-3,6-dimethoxy-2,5-dihydropyrazineMFCD00066229(2S)-3,6-dimethoxy-2-(propan-2-yl)-2,5-dihydropyrazine(2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazineCS-0008324

이름 더 보기

SchllkopfBISLACTIMETHERSchllkopf reagentSCHOELLKOPF-HARTWIG-REAGENT(2S)-(+)-2,5-DIHYDRO-3,6-DIMETHOXY-2-ISO(S)-2,5-DIHYDRO-3,6-DIMETHOXY-2-ISOPROPLPYRAZINE(S)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazin

(2S)-2,5-Dihydro-3,6-dimethoxy-2-(1-methylethyl)pyrazine(S)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine, >=97.0% (GC)Pyrazine, 2,5-dihydro-3,6-dimethoxy-2-(1-methylethyl)-, (2S)-(2S)-2,5-Dihydro-3,6-dimethoxy-2-(1-methylethyl)pyrazine; (+)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine; (S)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine; (S)-Schollkopf Reagent;(S)-2,5-dihydro-3,6-dimethoxy-2-iso-propylpyrazine(S)-2-Isopro(S)-Schollkopf reagentSCHEMBL369237

데이터베이스 식별자

CAS: 78342-42-4
PubChem CID: 736065
DTXSID: DTXSID30999695
ChEMBL: CHEMBL169371
EC Number: 680-195-2
Nikkaji: J922.366E

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 43.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 234

물리화학적 성질

끓는 점: 245.2 · 245.2±33.0 °C(Predicted)
밀도: 1.028 g/mL · 1.028 g/mL at 20 °C (lit.)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 3.81 · 3.81±0.60(Predicted)
물리적 상태: 액체
색상: 무색~담황색 투명
BRN: 3650245 · 3650245
InChI: InChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3/t8-/m0/s1
InChIKey: FCFWEOGTZZPCTO-QMMMGPOBSA-N
SMILES: [C@@H]1(C(C)C)N=C(OC)CN=C1OC

화학적 성질

Clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29335995
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 23-24/25-37/39-26
스토리지 클래스: 12 - Non Combustible Liquids

화학 및 산업

응용 분야 · 1건

용도(2S)-(+)-2,5-Dihydro-2-isopropyl-3,6-dimethoxypyrazine is a Schllkopf-Hartwig bislactim ether reagent for asymmetric synthesis of amino acids by reaction of the metalated reagent with alkyl halides, aldehydes, ketones, epoxides, and enones, and subsequent hydrolysis of the resulting bislactim ether adduct.