Benzeneacetic acid, alpha-hydroxy-, ammonium salt

Base Information

• Chemical Name: Benzeneacetic acid, alpha-hydroxy-, ammonium salt
• CAS No.: 530-31-4
• Molecular Formula: C₈H₇O₃•H₄N
• Molecular Weight: 169.18
• Hs Code.: 2918199090
• European Community (EC) Number: 208-475-8
• UNII: 6PGE18556E
• Mol file: 530-31-4.mol

Synonyms:Ammonium mandelate;Benzeneacetic acid, alpha-hydroxy-, ammonium salt;mandelic acid ammonium salt;6PGE18556E;ammoniummandelat;AMMONIUM MANDELATE [MI];BDEXTKUJIZCFST-UHFFFAOYSA-N;NS00079841;.ALPHA.-HYDROXYBENZENEACETIC ACID AMMONIUM SALT (1:1)

Chemical Property of Benzeneacetic acid, alpha-hydroxy-, ammonium salt

Chemical Property:

• Vapor Pressure: 0.00012mmHg at 25°C
• Melting Point: 131-132 °C
• Boiling Point: 321.8°C at 760 mmHg
• Flash Point: 162.6°C
• PSA: 60.77000
• LogP: 1.12850
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 169.07389321
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

98%min ^*data from raw suppliers

AMMONIUM MANDELATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C(=O)[O-])O.[NH4+]

Technology Process of Benzeneacetic acid, alpha-hydroxy-, ammonium salt

There total 1 articles about Benzeneacetic acid, alpha-hydroxy-, ammonium salt which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

MANDELIC ACID (611-71-2,611-72-3,17199-29-0,90-64-2) → (+/-)-mandelic acid; ammonium salt (530-31-4)

Guidance literature:

With benzene;

Reference yield:

water rose + ammonium mandelate (530-31-4) → (RS)-mandelamide (4410-31-5,24008-62-6,24008-63-7,4358-86-5) + MANDELIC ACID (611-71-2,611-72-3,17199-29-0,90-64-2)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; water;

Reference yield:

ammonium mandelate (530-31-4) + praseodymium (III) nitrate * 3 water → Cu(2+)*2Pr(3+)*6C6H5CHOHCO2(1-)*2OH(1-)*3H2O=CuPr2(C6H5CHOHCO2)6(OH)2*3H2O

Guidance literature:

In ammonia; aq. ammonia=NH3; addn. of Pr(NO3)3*3H2O-soln. (prepd. from Pr2O11) to ammonium mandelate soln. (molar ratio 1:8 to 1:16), adjusting pH from 4.0 to 6.5-7 with dild. NH4OH-soln., storing for 4 h at room temp.;; pptn., filtering, washing with H2O and drying in vac. desiccator at room temp.; elem. anal.; detn. by IR;;

DOI:10.1016/0040-6031(91)80314-9

upstream raw materials:

MANDELIC ACID

Downstream raw materials:

(RS)-mandelamide

MANDELIC ACID