4-{[6-(Methacryloyloxy)hexyl]oxy}benzenecarboxylic acid

HCID 3730344

基本情報

CAS
91652-00-5
標準SMILES
C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)O)cc1
InChIKey
KAGIRXVDTGQWKF-UHFFFAOYSA-N
分子式
C17H22O5
平均分子量
306.4 g/mol
単同位体質量
306.1467238

名称と識別子

優先名称
4-{[6-(Methacryloyloxy)hexyl]oxy}benzenecarboxylic acid
IUPAC
4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoic acid
英語名
4-([6-(Methacryloyloxy)hexyl]oxy)benzenecarboxylic acid
分子式
C17H22O5
分子量
306.35

名称と別名

91652-00-54-{[6-(methacryloyloxy)hexyl]oxy}benzenecarboxylic acid4-((6-(methacryloyloxy)hexyl)oxy)benzoic acid4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoic acid4-[[6-[(2-methyl-1-oxo-2-propen-1-yl)oxy]hexyl]oxy]Benzoic acidMFCD011663694-({6-[(2-METHYLPROP-2-ENOYL)OXY]HEXYL}OXY)BENZOIC ACID4-([6-(METHACRYLOYLOXY)HEXYL]OXY)BENZENECARBOXYLIC ACID4-((6-[(2-METHYLPROP-2-ENOYL)OXY]HEXYL)OXY)BENZOIC ACID4-[6-(2-Methyl-acryloxy)-hexyloxy]-benzoic acid4-{[6-(methacryloyloxy)hexyl]oxy}benzoic acid4-[6-(2-methylprop-2-enoyloxy)hexyloxy]benzoic acid
名称をさらに表示
4-[6-(2-METHYL-ACRYLOYLOXY)HEXYLOXY]BENZOIC ACID4-[[6-[(2-methyl-1-oxo-2-propenyl)oxy]hexyl]oxy]-Benzoic acidBenzoic acid, 4-[[6-[(2-methyl-1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-
Benzoic acid, 4-[[6-[(2-methyl-1-oxo-2-propenyl)oxy]hexyl]oxy]-4-(6-Methacryloyloxy-N-hex-1-yloxy)benzoic acidMLS000331237SCHEMBL1309117CHEMBL1305422DTXSID30395638HMS2383N13SBB059413

データベース識別子

CAS
91652-00-5
PubChem CID
3730344
DTXSID
DTXSID30395638
ChEMBL
CHEMBL1305422
Nikkaji
J680.715A

物性

構造計算による物性

XLogP
3.7
極性表面積
72.8 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
11
重原子数
22

物理化学的性質

融点
75 · 75-79 °C(Solv: isopropanol (67-63-0))
沸点
457.9 · 457.9±25.0 °C(Predicted)
比重(密度)
1.122 · 1.122±0.06 g/cm3(Predicted)
酸解離定数(Pka)
4.48 · 4.48±0.10(Predicted)
InChI
InChI=1S/C17H22O5/c1-13(2)17(20)22-12-6-4-3-5-11-21-15-9-7-14(8-10-15)16(18)19/h7-10H,1,3-6,11-12H2,2H3,(H,18,19)
InChIKey
KAGIRXVDTGQWKF-UHFFFAOYSA-N

安全と法規制

安全データ

注意喚起語
警告
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302

化学と産業

応用分野

使用4-{[6-(Methacryloyloxy)hexyl]oxy}benzenecarboxylic acid is a useful research chemical compound.

調製方法 · 1 件

製造方法The preparation of 4-([6-(methacryloyloxy)hexyl]oxy)benzenecarboxylic acid is as follows:6-(4-Formylphenoxy)hexyl methacrylate in an amount of 116.14 g, 2100 mL of methanol, an aqueous sodium dihydrogen phosphate solution (obtained by dissolving 43 g of sodium dihydrogen phosphate dihydrate in 570 mL of water) and 73 mL of a 30% hydrogen peroxide solution were added one by one. An aqueous sodium chlorite solution (obtained by dissolving 61.9 g of sodium chlorite with the purity of 80% in 500 mL of water) was added by dropping. After dropping, the reaction liquid was stirred at 45° C. for 3 hours, and the reaction was finished. After slowly cooling the reaction liquid to 20° C., 2250 mL of water was dropped to the reaction liquid, and a solid was precipitated. The solid was collected by filtration, and 72.7 g of 4-((6-(methacryloyloxy)hexyl)oxy)benzoic acid was thus obtained.

サプライヤー40 社

湖北万得化工有限公司15377098680 15377098680 · [email protected]
南京予善化工有限公司025-025-85281586 +86-18105181009
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

関連反応

7 件

化合物ノート

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