找化学品上960化工网!
960化工网

异丁酸酐 | 97-72-3

异丁酸酐
Isobutyric anhydride
97-72-3
C8H14O3
158.194962978363
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:异丁酸酐结构式
7346
异丁酸酐价格
简介
异丁酸酐,Isobutyric anhydride,中文别名2-甲基丙酸酐分子式C8H14O3,分子量158.195。国标编号:33593。用作合成农药和药物的中间体,制取异丁酸酯类增塑剂及香精、香料等。
名称和标识符
MDL MFCD00008913
InChIKey LSACYLWPPQLVSM-UHFFFAOYSA-N
Inchi 1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3
SMILES O=C(C(C)C)OC(C(C)C)=O
BRN 386267
别名信息
- 中文别名 -
  • 异丁酸酐
  • 2-甲基丙酸酐
  • 异丁酐
  • 正丁酐
- 英文别名 -
  • Isobutyric anhydride
  • 2-Methylpropionic anhydride
  • 2-methylpropanoyl 2-methylpropanoate
  • Isobutyricanhydride (6CI,7CI,8CI)
  • Propanoic acid, 2-methyl-, anhydride (9CI)
  • 2-Methylpropanoic acid anhydride
  • 2-Methylpropanoic anhydride
  • Isobutanoic anhydride
  • Isobutyric acid anhydride
  • Isobutyryl anhydride
  • Isobutyric anhydride (6CI, 7CI, 8CI)
  • 2-Methylpropanoyl-2-methylpropanoate
  • 2-Methylpropionic acid anhydride
物化性质
实验特性
LogP 1.36820
PSA 43.37000
折射率 n20/D 1.406(lit.)
水溶性 分解
沸点 182°C
熔点 −56 °C (lit.)
蒸气压 10 mmHg ( 67 °C)
闪点 华氏:154.4 °F
摄氏:68 °C
FEMA 2440
颜色与性状 无色透明液体,有刺激性气味。[1]
溶解性 微溶于水,可混溶于乙醇、乙醚。[12]
敏感性 Moisture Sensitive
密度 0.954 g/mL at 25 °C(lit.)
计算特性
精确分子量 158.09400
氢键供体数量 0
氢键受体数量 3
可旋转化学键数量 4
同位素质量 158.094294
重原子数量 11
复杂度 141
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2
互变异构体数量
表面电荷 0
拓扑分子极性表面积 43.4
国际标准相关数据
EINECS 202-603-6
海关数据
海关编码 2915900090
海关数据

中国海关编码:

2915900090

概述:

2915900090. 其他饱和无环一元羧酸及其酸酐(酰卤、过氧)化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary:

2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

合成路线

合成路线:1 步

参考文献:
Product class 4: carboxylic acid anhydrides and their sulfur, selenium, and tellurium derivatives
Keller, P. A., Science of Synthesis, 2006, , 617-641

合成路线:1 步

反应条件:
参考文献:
Highly efficient and robust aerobic co-oxidation of olefins and aldehydes over CoOx dispersed within hierarchical silicalite-1 zeolites
Li, Chenhao; et al, Green Chemistry, 2022, 24(16), 6200-6214

合成路线:1 步

78-94%94%88%78%
反应条件:
参考文献:
Phase-managed organic synthesis. 3. Symmetrical anhydrides from carboxylic acids via polymer-assisted reactionReaction of dicarbonates with carboxylic acids catalyzed by weak lewis acids: general method for the synthesis of anhydrides and estersMethod for preparing low carbon chain symmetric anhydride
Fife, Wilmer K.; et al Bartoli, Giuseppe; et al, Tetrahedron Letters, 1986, 27(41), 4937-40

合成路线:2 步

反应条件:
参考文献:
Method and device for preparation of compounds using isobutyric acid and acetic anhydride
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Phase-managed organic synthesis. 2. A new polymer-assisted synthesis of acid anhydrides
Fife, Wilmer K.; et al, Tetrahedron Letters, 1986, 27(41), 4933-6

合成路线:1 步

86-87%87%86%
反应条件:
参考文献:
Preparation of a Resin-Bound Cobalt Phosphine Complex and Assessment of Its Use in Catalytic Oxidation and Acid Anhydride SynthesisPreparation of a Resin-Bound Cobalt Phosphine Complex and Assessment of Its Use in Catalytic Oxidation and Acid Anhydride Synthesis
Leadbeater, Nicholas E.; et al Leadbeater, Nicholas E.; et al, Journal of Organic Chemistry, 2000, 65(15), 4770-4772

合成路线:1 步

52%52%
反应条件:
参考文献:
Metal-free oxidative self-coupling of aldehydes or alcohols to symmetric carboxylic anhydrides
Gaspa, Silvia; et al, Tetrahedron Letters, 2017, 58(26), 2533-2536

合成路线:1 步

参考文献:
Chemical apparatus and method for preparing isobutyric anhydridePreparation of cyclic nucleotides as STING agonistsPreparation method of 2,2,4,4-tetramethyl-1,3-cyclobutanediol
, China, , ,

合成路线:2 步

反应条件:
参考文献:
Process for the production of diacyl peroxides
, World Intellectual Property Organization, , ,

合成路线:1 步

85%85%
反应条件:
参考文献:
Response surface methodology based on the Box-Behnken design for optimizing the synthesis of symmetrical anhydrides from acid chlorides using cerium (III) as a homogeneous catalyst
Larba, Seif Eddine; et al, ChemistrySelect, 2023, 8(28),

合成路线:1 步

反应条件:
参考文献:
Anhydrides from aldehydes or alcohols via oxidative cross-coupling
Gaspa, Silvia; et al, New Journal of Chemistry, 2017, 41(3), 931-939

合成路线:1 步

反应条件:
参考文献:
Influence of aliphatic amide terminals on the thermoresponsive properties of hyperbranched polyethylenimines
Qin, Hong-wei; et al, Chinese Journal of Polymer Science, 2014, 32(10), 1338-1347

合成路线:2 步

反应条件:
参考文献:
Process for the production of peroxyesters
, World Intellectual Property Organization, , ,

合成路线:2 步

反应条件:
参考文献:
Preparation method of 2,2,4,4-tetramethyl-1,3-cyclobutanediol
, Korea, , ,

合成路线:1 步

反应条件:
参考文献:
Light-Mediated Synthesis of Aliphatic Anhydrides by Cu-Catalyzed Carbonylation of Alkyl Halides
Tung, Pinku; et al, Journal of the American Chemical Society, 2023, 145(17), 9423-9427

合成路线:1 步

参考文献:
Product class 4: carboxylic acid anhydrides and their sulfur, selenium, and tellurium derivatives
Keller, P. A., Science of Synthesis, 2006, , 617-641

合成路线:2 步

反应条件:
参考文献:
Process for the production of peroxyesters
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Method and device for preparation of compounds using isobutyric acid and acetic anhydrideDehydration process for making isobutyric anhydride from isobutyric acid and acetic anhydride
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Epoxidation of olefins with O2 and isobutyraldehyde catalyzed by cobalt (II)-containing zeolitic imidazolate framework material
Zhang, Aiping; et al, Catalysis Communications, 2011, 12(13), 1183-1187

合成路线:1 步

反应条件:
参考文献:
Dehydration induced by intramolecular redox character of a stable allylidenetributylphosphorane
Kawamura, Yasuhiko; et al, Tetrahedron Letters, 1997, 38(45), 7893-7896
相关文献
专业数据库参考
PubChemId 7346
参考资料
Reaxys RN 386267
Beilstein 2(4)851
产品用途
用作有机合成中间体
960化工网为您提供异丁酸酐专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:97-72-3,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:97-72-3
平台客服 平台客服

平台在线客服