ジアゼンジカルボン酸ジ-tert-ブチル

Di-tert-butyl azodicarboxylate

HCID 97268CAS 870-50-8

基本情報

標準SMILES
CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C
InChIKey
QKSQWQOAUQFORH-UHFFFAOYSA-N
分子式
C10H18N2O4
平均分子量
230.26 g/mol
単同位体質量
230.12665706

名称と識別子

優先名称
Di-tert-butyl azodicarboxylate
IUPAC
tert-butyl 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 azodicarboxylate870-50-8DTXSID201306310RefChem:586103DTXCID201736276212-796-9Di-tert-butyl diazene-1,2-dicarboxylateAzodicarboxylic Acid Di-tert-butyl EsterDi-tert-butylazodicarboxylateMFCD00015001di-t-butyl azodicarboxylate(E)-di-tert-butyl diazene-1,2-dicarboxylate
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-tert-Butyl azodicDi-tert-butyl azodiformateSKL270NSC 109889DI-TERT-BUTYL AZODICARBOXYALTEBis(tert-butoxycarbonyl)diazene
Di-(tert-butyl) diazene-1,2-dicarboxylate1,2-Diazenedicarboxylic acid, 1,2-bis(1,1-dimethylethyl) esterDTADdi-tert-butylazocarboxylatetert-butyl {[(tert-butyl)oxycarbonyl]diazenyl}formatetert-butyl N-tert-butoxycarbonyliminocarbamatedi t-butyl azodicarboxylateDitertbutyl azodicarboxylate

データベース識別子

CAS
870-50-8
PubChem CID
97268
DTXSID
DTXSID201306310
EC Number
212-796-9

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

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 10.7% (6 of 56) of reports.

Warning

H315 (89.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (89.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 6 of 56 reports by companies.;There are 7 notifications provided by 50 of 56 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (89.3%);Eye Irrit. 2 (89.3%);STOT SE 3 (87.5%)

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].

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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