1135-23-5

中文名称磷酸异丙酯(单双酯混合物)

英文名称 3-(4-HYDROXY-3-METHOXYPHENYL)PROPIONIC ACID

CAS 1135-23-5

EINECS 编号 214-489-5

分子式 C10H12O4

MDL 编号 MFCD00016558

分子量 196.2

MOL 文件 1135-23-5.mol

更新日期 2025/04/28 10:31:38

1135-23-5 结构式

基本信息物理化学性质安全数据制备方法图谱信息知名试剂公司产品信息磷酸异丙酯(单双酯混合物)价格(试剂级) 常见问题列表

基本信息

中文别名

磷酸异丙酯(单双酯混合物)
3-(4-羟基甲基)丙酸
氢化阿魏酸
3-(4-羟基-3-甲氧基苯基)丙酸

英文别名

3-(3-METHOXY-4-HYDROXYPHENYL)-PROPIONIC ACID
3-(4-HYDROXY-3-METHOXYPHENYL)PROPANOIC ACID
3-(4-HYDROXY-3-METHOXYPHENYL)PROPIONIC ACID
3-(4-HYDROXYMETHYL)PROPIONIC ACID
3-METHOXY-4-HYDROXYHYDROCINNAMIC ACID
4-HYDROXY-3-METHOXYHYDROCINNAMIC ACID
BETA-(4-HYDROXY-3-METHOXYPHENYL)PROPIONIC ACID
HYDROFERULIC ACID
Benzenepropanoic acid, 4-hydroxy-3-methoxy-
3-(4-HYDROXY-3-METHOXYPHENYL)PROPIONIC
HYDROFERULIC ACID(RG)
3-(4-HYDROXY-3-METHOXYPHENYL)PROPIONIC ACID 98%
3-Methoxy-4-hydroxybenzenepropanoic acid
3-Methoxy-4-hydroxybenzenepropionic acid
4-Hydroxy-3-methoxybenzenepropanoic acid

所属类别

香精与香料：芳香肉桂酸、酯及衍生物

物理化学性质

熔点87-93 °C

沸点120-130 °C(Press: 0.5 Torr)

密度1.259±0.06 g/cm3(Predicted)

储存条件Storage temp. 2-8°C

溶解度溶于二甲基亚砜和甲醇。

酸度系数(pKa)4.73±0.10(Predicted)

形态粉末晶体

颜色白色至浅黄色

BRN2110370

InChIInChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)

InChIKeyBOLQJTPHPSDZHR-UHFFFAOYSA-N

SMILESC1(CCC(O)=O)=CC=C(O)C(OC)=C1

LogP0.810 (est)

CAS 数据库1135-23-5(CAS DataBase Reference)

安全数据

危险性符号(GHS) GHS hazard pictograms

GHS07

警示词警告

危险性描述H302-H315-H319-H335

防范说明P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

危险品标志Xn

危险类别码R22-R36/37/38

安全说明S26-S36

WGK Germany2

危险等级IRRITANT

海关编码29189900

制备方法

方法1

1135-24-6

1135-23-5

以3-甲氧基-4-羟基苯基丙烯酸为原料合成磷酸异丙酯(单双酯混合物)的一般步骤如下：向搅拌的阿魏酸（25g，128.74mmol）在甲醇（200ml）中的悬浮液中加入Pd/C催化剂（3.75g）。将反应混合物置于1.2MPa氢气压力下，在50℃条件下氢化4小时。反应完成后，将混合物冷却至室温，过滤去除催化剂，并通过减压浓缩得到白色固体产物（25g，收率99%）。产物的结构通过1H NMR（400MHz，CDCl3）和ESI-MS进行确认：1H NMR δ 6.76（d, J = 7.8Hz, 1H），6.62（m, 2H），3.79（s, 3H），2.81（t, J = 7.7Hz, 2H），2.58（t, J = 7.7Hz, 2H）；ESI-MS m/z: 195.1 [M-H]?。

参考文献：

[1] Advanced Synthesis and Catalysis, 2013, vol. 355, # 1, p. 81 - 86

[2] Tetrahedron Letters, 2010, vol. 51, # 44, p. 5753 - 5756

[3] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 13, p. 4462 - 4466

[4] European Journal of Medicinal Chemistry, 2014, vol. 87, p. 429 - 439

[5] Journal of the American Chemical Society, 2017, vol. 139, # 10, p. 3767 - 3773

图谱信息

磷酸异丙酯(单双酯混合物)(1135-23-5)质谱(MS)
磷酸异丙酯(单双酯混合物)(1135-23-5)核磁图(¹HNMR)
磷酸异丙酯(单双酯混合物)(1135-23-5)核磁图(¹³CNMR)
磷酸异丙酯(单双酯混合物)(1135-23-5)红外图谱(IR1)
磷酸异丙酯(单双酯混合物)(1135-23-5)红外图谱(IR2)

知名试剂公司产品信息

Alfa Aesar

3-(4-羟基-3-甲氧基苯基)丙酸,97%
3-(4-Hydroxy-3-methoxyphenyl)propionic acid, 97%(1135-23-5)

Sigma Aldrich

1135-23-5(sigmaaldrich)

TCI Shanghai

3-(4-羟基-3-甲氧苯基)丙酸
3-(4-Hydroxy-3-methoxyphenyl)propionic Acid,>96.0%(GC)(T)(1135-23-5)

磷酸异丙酯(单双酯混合物)价格(试剂级)

报价日期	产品编号	产品名称	CAS号	包装	价格
2025/09/19	A12069	3-(4-羟基-3-甲氧基苯基)丙酸, 97% 3-(4-Hydroxy-3-methoxyphenyl)propionic acid, 97%	1135-23-5	5g	2558元
2025/09/19	S5135	磷酸异丙酯(单双酯混合物) Hydroferulic acid	1135-23-5	25mg	794.8元
2025/05/22	A12069	3-(4-羟基-3-甲氧基苯基)丙酸, 97% 3-(4-Hydroxy-3-methoxyphenyl)propionic acid, 97%	1135-23-5	1g	664元

常见问题列表

生物活性

Dihydroferulic acid (Hydroferulic acid) 是姜黄素的主要代谢产物之一，具有抗氧化/清除自由基的活性，IC50 值为 19.5 μM。Dihydroferulic acid 是人类肠道菌群的代谢产物，也是香草酸的前体物质。

体外研究

Uptake of hydroxycinnamic acids by control, organic anion transporter 1 (OAT1), OAT2, OAT3, and OAT4 over expressing 293H cells. In 293H control cells, there was significant uptake of Dihydroferulic acid. The uptake of Dihydroferulic acid is also enhanced ~2-fold in the OAT1-expressing cells.

体内研究

Assessing the influence of an 11 weeks intervention with a resistant starch-enriched whole grain diet (HI-RS-WG, 25% RS) compared to a WG control diet (LOW-RS-WG, 6.9% RS) on serum profile of polyphenols (PPs) in 20 Zucker Diabetic Fatty rats. Five PPs were identified and quantified in serum samples of rats belonging to both intervention groups. HI-RS-WG rats had 2.6 folds higher serum concentrations of total PPs than LOW-RS-WG rats. An explorative data reduction approach, based on the Principal Component Analysis identified two principal components related to the gut microbiota fermentation and food intake, respectively. Results showed that the abundance of hippuric acid and Dihydroferulic acid in HI-RS-WG rats was explained by the stronger gut microbiota fermentation in those rats than in LOW-RS-WG rats.