Pentanedioicacid, 2-bromo- supplier

Name
S-2--Bromo Glutaric acid
EINECS
CAS No. 51528-22-4
Article Data6
CAS DataBase
Density 1.853 g/cm³
Solubility
Melting Point
Formula C₅H₇BrO₄
Boiling Point 331.776 °C at 760 mmHg
Molecular Weight 211.012
Flash Point 154.453 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms a-Bromoglutaric acid;
PSA 74.60000
LogP 0.69930

Synthetic route

: 56-86-0
L-glutamic acid

: 51528-22-4
2-bromopentanedioic acid

Conditions

Conditions	Yield
With hydrogen bromide; potassium bromide; sodium nitrite In water at -15 - 20℃; for 3h;	42%
With sulfuric acid; sodium bromide; sodium nitrite In water at 0℃; for 0.333333h;	40%
With hydrogen bromide; potassium bromide; sodium nitrite In water for 2h; Cooling with ice;

: 617-65-2
Glutamic acid

: 51528-22-4
2-bromopentanedioic acid

Conditions

Conditions	Yield
With hydrogen bromide; sodium bromide; sodium nitrite In water for 7.5h;
Stage #1: Glutamic acid With hydrogen bromide; sodium bromide; sodium nitrite at -5 - 0℃; for 2.83333h; Stage #2: With sulfuric acid

: 98-00-0
(2-furyl)methyl alcohol

: 51528-22-4
2-bromopentanedioic acid

: bis(furan-2-ylmethyl) 2-bromopentanedioate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 0℃; for 16.3333h; Inert atmosphere;	80%

: 540-88-5
acetic acid tert-butyl ester

: 51528-22-4
2-bromopentanedioic acid

: di-tert-butyl 2-bromopentanedioic acid

Conditions

Conditions	Yield
With perchloric acid at 20℃;	42%

: 51528-22-4
2-bromopentanedioic acid

: 140-89-6
potassium ethyl xanthogenate

: 36303-63-6
2-mercapto-glutaric acid

Conditions

Conditions	Yield
With water Einw.von wss.-alkoh.NH3 auf das Reaktionsprodukt;

: 51528-22-4
2-bromopentanedioic acid

: 100-51-6
benzyl alcohol

: 596121-81-2
dibenzyl 2-bromopentanedioate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene at 25℃; for 8h; Reflux;	2.6 mg

: 51528-22-4
2-bromopentanedioic acid

: dimethyl 2-iodoglutarate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sulfuric acid / 1.25 h / Inert atmosphere; Reflux 2: sodium iodide / acetone / 2 h / Reflux View Scheme

: 51528-22-4
2-bromopentanedioic acid

: 51453-91-9
dimethyl 2-[bis(benzyl)amino]glutarate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sulfuric acid / 1.25 h / Inert atmosphere; Reflux 2: triethylamine / acetonitrile / 40 h / 60 °C / Inert atmosphere View Scheme

: 51528-22-4
2-bromopentanedioic acid

: dimethyl-2-({[o-(benzyloxy)phenyl]methyl}(methoxycarbonylmethyl)amino) glutarate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sulfuric acid / 1.25 h / Inert atmosphere; Reflux 2: sodium iodide / acetone / 2 h / Reflux 3: potassium carbonate / acetonitrile / 144 h / 60 °C / Molecular sieve; Inert atmosphere View Scheme

: 67-56-1
methanol

: 51528-22-4
2-bromopentanedioic acid

: 760-94-1
dimethyl-2-bromoglutarate

Conditions

Conditions	Yield
With sulfuric acid for 1.25h; Fischer-Speier Esterification; Inert atmosphere; Reflux;	2.79 g

: 51528-22-4
2-bromopentanedioic acid

: 100-51-6
benzyl alcohol

: (S)-dibenzyl 2-phenylpentanedioate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene-4-sulfonic acid / benzene / 8 h / 25 °C / Reflux 2: (4S,4S')-(-)-2,2'-(1-methylethylidene)bis[4,5-dihydro-4-(phenylmethyl)oxazole]; cobalt(II) iodide / tetrahydrofuran; diethyl ether / 6 h / -80 °C / Schlenk technique; Inert atmosphere View Scheme

: 64-17-5
ethanol

: 51528-22-4
2-bromopentanedioic acid

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
With thionyl chloride at 20℃; for 48h; Cooling with ice;	19.5 g

: 51528-22-4
2-bromopentanedioic acid

: C38H60N4O12

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: thionyl chloride / 48 h / 20 °C / Cooling with ice 2: potassium carbonate / acetonitrile / 24 h / 65 °C View Scheme

: 51528-22-4
2-bromopentanedioic acid

: 2-[3,9-bis(1,3-dicarboxy-propyl)-3,6,9,15-tetraazabicyclo[9.3.1] pentadeca-1(14),11(15),12-trien-6-yl]-pentanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride / 48 h / 20 °C / Cooling with ice 2: potassium carbonate / acetonitrile / 24 h / 65 °C 3: water; sodium hydroxide / ethanol / 23 h / 80 °C View Scheme

: 51528-22-4
2-bromopentanedioic acid

: 933983-88-1
Gd(PCTA-tris-glutaric acid)

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: thionyl chloride / 48 h / 20 °C / Cooling with ice 2: potassium carbonate / acetonitrile / 24 h / 65 °C 3: water; sodium hydroxide / ethanol / 23 h / 80 °C 4: sodium hydroxide / water / 20 °C / pH 7 View Scheme

Pentanedioicacid, 2-bromo- Specification

The Pentanedioicacid, 2-bromo-, with the CAS registry number of 51528-22-4, is also known as α-Bromoglutaric acid. This chemical's molecular formula is C₅H₇BrO₄. What's more, its systematic name is 2-Bromopentanedioic acid.

Physical properties about the Pentanedioicacid, 2-bromo- are: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 74.6 Å²; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 36.033 cm³; (13)Molar Volume: 113.879 cm³; (14)Surface Tension: 65.678 dyne/cm; (15)Density: 1.853 g/cm³; (16)Flash Point: 154.453 °C; (17)Enthalpy of Vaporization: 63.147 kJ/mol; (18)Boiling Point: 331.776 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrC(CCC(=O)O)C(O)=O
(2) InChI: InChI=1/C5H7BrO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2H2,(H,7,8)(H,9,10)
(3) InChIKey: UKUBAEDKWAHORT-UHFFFAOYAE

Product Name

S-2--Bromo Glutaric acid

Synthetic route

Pentanedioicacid, 2-bromo- Specification

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