ジアゼンジカルボン酸ジ-tert-ブチル

Di-tert-butyl diazene-1,2-dicarboxylate

HCID 6034084

基本情報

CAS
870-50-8
標準SMILES
CC(C)(C)OC(=O)/N=N/C(=O)OC(C)(C)C
InChIKey
QKSQWQOAUQFORH-VAWYXSNFSA-N
分子式
C10H18N2O4
平均分子量
230.26 g/mol

名称と識別子

優先名称
Di-tert-butyl diazene-1,2-dicarboxylate
IUPAC
tert-butyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
現地名
ジアゼンジカルボン酸ジ-tert-ブチル
英語名
Di-tert-Butyl azodicarboxylate
分子式
C10H18N2O4
分子量
230.26

名称と別名

Di-tert-butyl diazene-1,2-dicarboxylateDi-tert-butylazodicarboxylate(E)-N-{[(tert-butoxy)carbonyl]imino}(tert-butoxy)formamide862421-89-4tert-butyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamateMFCD00015001N-{[(tert-butoxy)carbonyl]imino}(tert-butoxy)formamideEINECS 212-796-9NSC109889Di-tert-butyl azodiformatetert-butyl {[(tert-butyl)oxycarbonyl]diazenyl}formateDi-tert-butyl azodicarboxylate, 98%
名称をさらに表示
ジアゼンジカルボン酸ビス-tert-ブチル1,2-ビス(tert-ブトキシカルボニル)ジアゼンビス(tert-ブトキシカルボニル)ジアゼンジアゼン-1,2-ジカルボン酸ジ-tert-ブチル2,3-ジアザ-2-ブテン二酸ジ-tert-ブチルアゾビスぎ酸ジ-tert-ブチルジアゼン-1,2-ビス(ぎ酸tert-ブチル)アゾビス(ぎ酸tert-ブチル)ジアゼンジカルボン酸ジ-tert-ブチルジアゼンジカルボン酸ジtert-ブチルΔN,N'-ビ[カルバミド酸tert-ブチル]アゾジカルボン酸ジ-tert-ブチル (20%トルエン溶液)アゾジカルボン酸ジ‐TERT‐ブチルアゾジカルボン酸ジ-TERT-ブチルアゾジカルボン酸ジ-tert-ブチル, 98%1,2-ジアゼンジカルボン酸ジ-tert-ブチル1,2-ビス(tert-ブチルオキシカルボニル)-1,2-ジアザエテンN-{[(tert-ブトキシ)カルボニル]イミノ}(tert-ブトキシ)ホルムアミド1,1′-アゾビス(ぎ酸tert-ブチル)ΔN,N′-ビ[カルバミド酸tert-ブチル]di-tert-butyl (E)-diazene-1,2-dicarboxylateDI-T-BUTYL AZODICARBOXYLATEDi-tert-Butyl azodicSKL270DI-TERT-BUTYL AZODICARBOXYALTEDI-TERT-BUTYL AZODICARBOXYLATEBis(tert-butoxycarbonyl)diazene
SBB056423AKOS015838065Bis(1,1-dimethylethyl)azodicarboxylateCS-W010378GS-3460NSC 109889NSC-109889BP-11490

データベース識別子

CAS
870-50-8
PubChem CID
6034084
Nikkaji
J195.144K、J2.463.995I

物性

構造計算による物性

XLogP
2.9
極性表面積
77.3 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
4
重原子数
16

物理化学的性質

融点
89 · 89-92 °C(lit.)
沸点
287.1 · 287.1±9.0 °C(Predicted)
比重(密度)
1.06 · 1.06±0.1 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C
溶解性
クロロホルム(少量)、メタノール(少量)
外見
結晶または結晶性粉末

化学的性質

化学的特性yellow crystals or crystalline powder

安全と法規制

安全データ

wgk
3
ridadr
1325
PRTR法
第一種指定化学物質
hs_code
29270000
risk_code
36/37/38-11
安衛法
有機則 第二種有機溶剤等

化学と産業

応用分野 · 2 件

使用Di-tert-butyl azodicarboxylate is a reagent used in the preparation of acyl hydrazinedicarboxylates. It is also used in the electrophilic amination of beta-keto esters catalyzed by an axially chiral guanidine. It serves as a precursor in an enantioselective synthesis of 3,6-dihyropyridazines employing organocatalysts such as L-proline or (S)-2-pyrrolidinyl tetrazole. It is also utilized in the asymmetric Friedel-Crafts amination through a chiral organocatalyst. Further, it acts as a reactant for preparation of hexapeptide key fragments through stereo selective selenocyclization/oxidative deselenylation reactions. In addition to this, it is employed as a starting material in the synthesis of pyrroloisoquinoline template through stereoselective N-acyliminium-mediated cyclization and enolate amination for preparation of peptidomimetic compounds and Barbier-type propargylation reactions.

一般的な説明Di-tert-butyl azodicarboxylate is a an acid labile reagent for Mitsunobu reactions allowing facile isolation of products and for the electrophilic amination and hydrazination of enolates and lithium alkyls.

調製方法 · 1 件

純化方法The tert-butyl ester has the advantage over the ethyl ester (below) in being a solid and more acid labile. It crystallises from ligroin and is best purified by covering the dry solid (22g) with pet ether (b 30-60o, 35-40 mL) heating to boiling and adding ligroin (b 60-90o) until the solid dissolves. On cooling, large lemon yellow crystals of the ester separate (~ 20g), m 90.7-92o. Evaporation of the filtrate gives a further crop of crystals [Carpino & Crowley Org Synth 44 18 1964]. This reagent is useful in the Mitsunobu reaction [Mitsunobu Synthesis 1 1981, Gennari et al. J Am Chem Soc 108 6394 1986, Evans et al. J Am Chem Soc 108 6394 1986, Hughes Org React 42 335 1992, Dodge et al. Org Synth 73 110 1996, Hughes Org Prep Proc Int 28 127 1996, Ferguson & Marcelle J Am Chem Soc 128 4576 2006, see also DEAD and DIAD below].

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関連反応

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