CAS 145013-05-4 N,N'-Di-Boc-thiourea (HCID 5193990)

基本情報

CAS: 145013-05-4
標準SMILES: CC(C)(C)OC(=O)NC(=S)NC(=O)OC(C)(C)C
InChIKey: CSOJECDGWHHWRS-UHFFFAOYSA-N
分子式: C11H20N2O4S
平均分子量: 276.35 g/mol
単同位体質量: 276.1143783

名称と識別子

優先名称: N,N'-Di-Boc-thiourea
IUPAC: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylcarbamothioyl]carbamate
現地名: 1,3-ビス(tert-ブトキシカルボニル)チオ尿素
英語名: N,N′-Bis-tert-butoxycarbonylthiourea
分子式: C11H20N2O4S
分子量: 276.35

名称と別名

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

名称をさらに表示

1,3-ビス(tert-ブトキシカルボニル)チオ尿素1,3-ジ-Boc-チオ尿素N,N′−ジ-(TERT-ブトキシカルボニル)チオ尿素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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.4
極性表面積: 109 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 18
形式電荷: 0
複雑度: 310

物理化学的性質

融点: 131 · 131-135 °C(lit.)
比重(密度): 1.152 · 1.152
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 5.55 · 5.55±0.70(Predicted)
外見: powder to crystal
色: White to Almost white
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

化学的性質

化学的特性White to off-white solid

安全と法規制

安全データ

wgk: 3
hs_code: 29302000
safety_code: 24/25

化学と産業

応用分野 · 1 件

使用N,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.