CAS No.57609-64-0,TRIMETHYLENE BIS(4-AMINOBENZOATE) Suppliers,MSDS download

Products Categories

Pharmaceutical (31)
Organic Chemicals (23)
Others (5)
Materials (5)
Reagent (4)
Basic Inorganic Chemicals (2)
Catalyst and Auxiliary (1)

Basic Information

Molecular Structure:
CAS No.:	57609-64-0
Name:	TRIMETHYLENE BIS(4-AMINOBENZOATE)
Article Data:	7

Formula:	C₁₇H₁₈N₂O₄
Molecular Weight:	314.341
Synonyms:	1,3-Propanediol,bis(4-aminobenzoate) (9CI);1,3-Propanediol bis(p-aminobenzoate);1,3-Propanediol di-p-aminobenzoate;1,3-Propanediyl bis(p-aminobenzoate);1,3-Propylene bis(4-aminobenzoate);CUA 4;Cuamine CUA 4;Polacure 740;Polacure 740M;Trimethylene di-p-aminobenzoate;Trimethylene glycolbis(4-aminobenzoate);Trimethylene glycol bis(p-aminobenzoate);Trimethyleneglycol di-4-aminobenzoate;Trimethylene glycol di-p-aminobenzoate;Versalink740;Versalink 740M;Vibracure A 157;
EINECS:	260-847-9
Density:	1.14 g/cm³
Melting Point:	124-127 °C(lit.)
Boiling Point:	547 °C at 760 mmHg
Flash Point:	257.4 °C
Solubility:	4mg/L at 25℃
Appearance:	powder (granular)
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26-36
PSA:	104.64000
LogP:	3.41730

Synthetic route

: 555-06-6
sodium p-aminobenzoate

: 142-28-9
1,3-Dichloropropane

: 57609-64-0
propane-1,3-diyl bis(4-aminobenzoate)

Conditions

Conditions	Yield
In N-methyl-acetamide; water	95%
With sodium carbonate; dimethyl sulfoxide; 1,2-dichloro-ethane In water	91.5%

: 138-84-1
potassium 4-aminobenzoate

: 109-70-6
1,3-chlorobromopropane

: 95-50-1
1,2-dichloro-benzene

: 57609-64-0
propane-1,3-diyl bis(4-aminobenzoate)

Conditions

Conditions	Yield
With sodium carbonate In N-methyl-acetamide; water	90.8%

...Expand

: dibutyltin diacetate

: 94-09-7
p-aminoethylbenzoate

: 504-63-2
trimethyleneglycol

: 57609-64-0
propane-1,3-diyl bis(4-aminobenzoate)

Conditions

Conditions	Yield
In isopropyl alcohol	82.2%

...Expand

: 57609-63-9
1,3-bis(4-nitrobenzoyloxy)propane

: 57609-64-0
propane-1,3-diyl bis(4-aminobenzoate)

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrazine hydrate In ethanol for 10.5h; Reflux;	76%
With palladium 10% on activated carbon; hydrogen In ethyl acetate at 20℃; for 12h;	2265 mg

: 150-13-0
4-amino-benzoic acid

: 504-63-2
trimethyleneglycol

: 57609-64-0
propane-1,3-diyl bis(4-aminobenzoate)

Conditions

Conditions	Yield
With 1-methyl-3-(3-sulfopropyl)-1H-imidazol-3-ium 4-methylbenzenesulfonate In 5,5-dimethyl-1,3-cyclohexadiene at 135 - 140℃; for 5h; Reagent/catalyst; Solvent; Temperature;	65.4%

: 122-04-3
4-nitro-benzoyl chloride

: 57609-64-0
propane-1,3-diyl bis(4-aminobenzoate)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triethylamine / toluene / 3.25 h / 10 °C / Reflux 2: hydrazine hydrate; palladium 10% on activated carbon / ethanol / 10.5 h / Reflux View Scheme
Multi-step reaction with 2 steps 1: triethylamine / toluene / 4.25 h / 0 °C / Inert atmosphere; Schlenk technique; Reflux 2: hydrogen; palladium 10% on activated carbon / ethyl acetate / 12 h / 20 °C View Scheme

: 57609-64-0
propane-1,3-diyl bis(4-aminobenzoate)

: 38775-52-9
diethyl 2,2'-(sulfonylbis(4,1-phenylene)bis(oxy))diacetate

: C66H56N4O20S2

Conditions

Conditions	Yield
In ethanol at 80℃; Solvent;	90%

: 119072-55-8, 7188-38-7
tert-butylisonitrile

: 57609-64-0
propane-1,3-diyl bis(4-aminobenzoate)

: 119-67-5
o-carboxybenzaldehyde

A: propane-1,3-diyl bis(4-((R)-1-(tert-butylcarbamoyl)-3-oxoisoindolin-2-yl)benzoate)

B: propane-1,3-diyl bis(4-(1-(tert-butylcarbamoyl)-3-oxoisoindolin-2-yl)benzoate)

Conditions

Conditions	Yield
Stage #1: propane-1,3-diyl bis(4-aminobenzoate); o-carboxybenzaldehyde In dichloromethane at 20℃; Ugi Condensation; Inert atmosphere; Stage #2: tert-butylisonitrile With (S)-3,3'-bis(4-nitrophenyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diylphosphoric acid In dichloromethane Ugi Condensation; Inert atmosphere; Molecular sieve; Reflux; enantioselective reaction;	A 73% B 15%

...Expand

: 24083-16-7
4-(decyloxy)benzaldehyde

: 57609-64-0
propane-1,3-diyl bis(4-aminobenzoate)

: C51H66N2O6

Conditions

Conditions	Yield
With acetic acid In ethanol for 2h; Heating;

: 5736-94-7
4-(hexyloxy)benzaldehyde

: 57609-64-0
propane-1,3-diyl bis(4-aminobenzoate)

: C43H50N2O6

Conditions

Conditions	Yield
With acetic acid In ethanol for 2h; Heating;

Raw Materials

95-50-1

142-28-9

122-04-3

109-70-6

138-84-1

57609-63-9

555-06-6

Country:
- China (Mainland)(70)
- United States(1)
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:60 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 57609-64-0

Specification

This chemical is called 1,3-Propanediol bis(4-aminobenzoate), and its systematic name is propane-1,3-diyl bis(4-aminobenzoate). With the molecular formula of C₁₇H₁₈N₂O₄, its molecular weight is 314.34. In addition, the CAS registry number of this chemical is 57609-64-0, and its product categories are C12 to C63; Carbonyl Compounds; Esters. However, this chemical is powder, and it should be stored in the sealed place which should be cool and dry.

Other characteristics of the 1,3-Propanediol bis(4-aminobenzoate) can be summarised as followings: (1)XLogP3: 3.7; (2)Rotatable Bond Count: 8; (3)Tautomer Count: 6; (4)Topological Polar Surface Area: 105; (5)Heavy Atom Count: 23; (6)Complexity: 350; (7)Covalently-Bonded Unit Count: 1; (8)ACD/LogP: 3.14; (9)# of Rule of 5 Violations: 0; (10)ACD/LogD (pH 5.5): 3.14; (11)ACD/LogD (pH 7.4): 3.14; (12)ACD/BCF (pH 5.5): 142.2; (13)ACD/BCF (pH 7.4): 142.38; (14)ACD/KOC (pH 5.5): 1209.19; (15)ACD/KOC (pH 7.4): 1210.71; (16)#H bond acceptors: 6; (17)#H bond donors: 4; (18)#Freely Rotating Bonds: 10; (19)Polar Surface Area: 59.08 Å²; (20)Index of Refraction: 1.622; (21)Molar Refractivity: 87.1 cm³; (22)Molar Volume: 247.1 cm³; (23)Polarizability: 34.53×10^-24cm³; (24)Surface Tension: 58.4 dyne/cm; (25)Density: 1.14 g/cm³; (26)Flash Point: 257.4 °C; (27)Enthalpy of Vaporization: 82.62 kJ/mol; (28)Boiling Point: 547 °C at 760 mmHg; (29)Vapour Pressure: 5.11E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: The 1,3-Propanediol bis(4-aminobenzoate) is irritating to eyes, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCOC(=O)c1ccc(N)cc1)c2ccc(N)cc2
(2)InChI: InChI=1/C17H18N2O4/c18-14-6-2-12(3-7-14)16(20)22-10-1-11-23-17(21)13-4-8-15(19)9-5-13/h2-9H,1,10-11,18-19H2
(3)InChIKey: YPACMOORZSDQDQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C17H18N2O4/c18-14-6-2-12(3-7-14)16(20)22-10-1-11-23-17(21)13-4-8-15(19)9-5-13/h2-9H,1,10-11,18-19H2
(5)Std. InChIKey: YPACMOORZSDQDQ-UHFFFAOYSA-N