2-메틸설포닐-4,6-다이메톡시피리마이딘

4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

HCID 838363

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 113583-35-0
표준 SMILES: COc1cc(OC)nc(S(C)(=O)=O)n1
InChIKey: ITDVJJVNAASTRS-UHFFFAOYSA-N
분자식: C7H10N2O4S
평균 분자량: 218.23 g/mol
단동위원소 질량: 218.03612798

이름 및 식별자

우선 이름: 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
IUPAC: 4,6-dimethoxy-2-methylsulfonylpyrimidine
현지명: 2-메틸설포닐-4,6-다이메톡시피리마이딘
영어명: 2-Methanesulfonyl-4,6-dimethoxypyrimidine
분자식: C7H10N2O4S
분자량: 218.23

이름 및 동의어

113583-35-04,6-Dimethoxy-2-(methylsulfonyl)pyrimidineDTXSID10356944RefChem:96658DTXCID503080032-Methanesulfonyl-4,6-dimethoxypyrimidine2-methylsulfonyl-4,6-dimethoxypyrimidine4,6-Dimethoxy-2-methylsulfonylpyrimidinePyrimidine, 4,6-dimethoxy-2-(methylsulfonyl)-MFCD006721514,6-dimethoxy-2-methylsulfonyl-pyrimidine2-methanesulfonyl-4,6-dimethoxy-pyrimidine

이름 더 보기

2-메틸설포닐-4,6-다이메톡시피리마이딘MSDPDMMSP4,6-DIMETHOXY-2-METHYL-SULFONYLPYRIMIDIME211582-Methylsulfonyl-42-Methanesulfonyl-42-Methylsulfonyl-4,64,6-dimethoxy-2-mesyl-pyrimidine

4,6-dimethoxy-2-pyrimidinyl methyl sulfone4,6-Dimethoxy-2-(methylsulfonyl)-pyrimidine;Maybridge1_0088224,6-dimethoxy-2-(methylsulphonyl)pyrimidineMLS000701367SCHEMBL1067726CHEMBL1410645HMS566I22

데이터베이스 식별자

CAS: 113583-35-0
PubChem CID: 838363
DTXSID: DTXSID10356944
ChEMBL: CHEMBL1410645
EC Number: 601-266-6
Nikkaji: J1.172.425F

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 86.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 262

물리화학적 성질

녹는점: 129 · 129-133 °C(lit.)
끓는 점: 412.6 · 412.6±48.0 °C(Predicted)
밀도: 1.317 · 1.317±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): -3.39 · -3.39±0.30(Predicted)
색상: 하얀색
InChI: InChI=1S/C7H10N2O4S/c1-12-5-4-6(13-2)9-7(8-5)14(3,10)11/h4H,1-3H3
InChIKey: ITDVJJVNAASTRS-UHFFFAOYSA-N
SMILES: C1(S(C)(=O)=O)=NC(OC)=CC(OC)=N1

화학적 성질

White to off-white powder

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25
위험 등급: IRRITANT
기존화학 물질: 97-3-450
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Methanesulfonyl-4,6-dimethoxypyrimidine was used to prepare nonpeptidic endothelin-A receptor antagonists.

일반 설명4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine can be prepared by the oxidation of 2-methylthio-4,6-dimethoxypyrimidine.

제조 방법 · 1건

One method for preparing 2-Methanesulfonyl-4,6-dimethoxypyrimidine comprises with 4, 6-dihydroxyl-2-methylthiopyrimidine is a main raw material, and through superchlorination, methoxylation and oxidizing reaction, reaction formula is as follows: