N,N'-Di-Boc-thiourea

HCID 5193990

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 145013-05-4
표준 SMILES: CC(C)(C)OC(=O)NC(=S)NC(=O)OC(C)(C)C
InChIKey: CSOJECDGWHHWRS-UHFFFAOYSA-N
분자식: C11H20N2O4S
평균 분자량: 276.35 g/mol
단동위원소 질량: 276.1143783

이름 및 식별자

우선 이름: N,N'-Di-Boc-thiourea
IUPAC: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylcarbamothioyl]carbamate
영어명: N,N′-Bis-tert-butoxycarbonylthiourea
분자식: C11H20N2O4S
분자량: 276.35

이름 및 동의어

145013-05-4N,N'-Di-Boc-thioureaDTXSID40409351RefChem:358445DTXCID10360203N,N'-Bis-tert-butoxycarbonylthioureaBIS-BOC-THIOUREAtert-butyl N-[(2-methylpropan-2-yl)oxycarbonylcarbamothioyl]carbamateMFCD030939171,3-Bis(tert-butoxycarbonyl)thioureaN,N'-Di-(tert-butoxycarbonyl)thioureabis boc thiourea

이름 더 보기

Diboc-thiourea1,3-Di-Boc-thioureaN,Nμ-Di-Boc-thioureaN,N`-Di-Boc-thiourea,97%N,N'-Di-Boc-thiourea 97%Bis-Boc-thiourea Novabiochem-BIS-TERT-BUTOXYCARBONYLTHIOUREAN,N′-Di-Boc-thiourea

n,n'-di(tert-butoxycarbonyl)thioureaN,N`-Di-Boc-thioureaN,N'-bis(tert-butoxycarbonyl)thioureaN,N inverted exclamation marka-Di-Boc-thioureaThiodiimidotricarbonic acid ([(HO)C(O)NH]2C(S)), 1,5-bis(1,1-dimethylethyl) estertert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamatedi-Boc-thioureabis-N-Boc thiourea

데이터베이스 식별자

CAS: 145013-05-4
PubChem CID: 5193990
DTXSID: DTXSID40409351
EC Number: 193-254-8
Nikkaji: J1.040.970E

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 109 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 310

물리화학적 성질

녹는점: 131 · 131-135 °C(lit.)
밀도: 1.152 · 1.152
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 5.55 · 5.55±0.70(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C11H20N2O4S/c1-10(2,3)16-8(14)12-7(18)13-9(15)17-11(4,5)6/h1-6H3,(H2,12,13,14,15,18)
InChIKey: CSOJECDGWHHWRS-UHFFFAOYSA-N
SMILES: C(C)(C)(C)OC(=O)NC(=S)NC(=O)OC(C)(C)C

화학적 성질

White to off-white solid

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29302000
safety_code: 24/25

화학 및 산업

응용 분야 · 1건

용도N,N′-Di-Boc-thiourea (N,N′-di-Boc-substituted thiourea), also known as di-Boc-thiourea is a thioacylating agent for preparing thiocarbonyl compounds. N,N′-Di-Boc-thiourea (di-Boc protected thiourea) may be used as a guanylating agent for the synthesis of guanidines, via guanylation of amines in the presence of Mukaiyama′s reagent as a promoter.