1,2,3,4,6-penta-O-benzoyl-α-D-glucopyranose
A
1,1-bis(benzamido)-6-O-benzoyl-1-deoxy-D-glucitol
B
ammonium benzoate
C
N-benzoyl-6-O-benzoyl-α-D-glucofuranosylamine
D
N-benzoyl-3,6-di-O-benzoyl-α-D-glucofuranosylamine
Conditions | Yield |
---|---|
With ammonia In 1,4-dioxane; chloroform at -60℃; for 100h; Further byproducts given; | A 29% B 17.2 mg C 11.9% D 9.6% |
Conditions | Yield |
---|---|
With ammonium acetate; ammonia In sulfuric acid addition of NH4 benzoate at boiling heat, precipitation with NH3 solution at pH=2.0-2.5, even in presence of thioglycolic acid;; | 100% |
With ammonium acetate; ammonia In nitric acid addition of NH4 benzoate at boiling heat, precipitation with NH3 solution at pH=1.0-1.5, even in presence of thioglycolic acid;; | 100% |
With ammonium acetate; ammonia In hydrogenchloride addition of NH4 benzoate at boiling heat, precipitation with NH3 solution at pH=1.0-1.5, even in presence of thioglycolic acid;; | 100% |
ammonium benzoate
Conditions | Yield |
---|---|
Stage #1: ammonium benzoate; (1aR,1bS,4aS,4bR,7aS,7bS)-3,3-Dimethyl-1-(toluene-4-sulfonyl)-hexahydro-2,4,5,7-tetraoxa-6-thia-1-aza-cyclopropa[e]-as-indacene 6,6-dioxide In N,N-dimethyl-formamide Stage #2: With sulfuric acid In tetrahydrofuran; water Further stages.; | 90% |
Conditions | Yield |
---|---|
In water dropwise addn. of a satd. aq. soln. of AgNO3 to an aq. soln. of ammonium benzoate; pptn., cooling in ice, filtration, washing (cold water, cold ethanol, ether), drying by suction; | 90% |
1,2,3,4,6-penta-O-benzoyl-α-D-glucopyranose
A
1,1-bis(benzamido)-6-O-benzoyl-1-deoxy-D-glucitol
B
ammonium benzoate
C
N-benzoyl-6-O-benzoyl-α-D-glucofuranosylamine
D
N-benzoyl-3,6-di-O-benzoyl-α-D-glucofuranosylamine
Conditions | Yield |
---|---|
With ammonia In 1,4-dioxane; chloroform at -60℃; for 100h; Further byproducts given; | A 29% B 17.2 mg C 11.9% D 9.6% |
Conditions | Yield |
---|---|
With ammonium acetate; ammonia In sulfuric acid addition of NH4 benzoate at boiling heat, precipitation with NH3 solution at pH=2.0-2.5, even in presence of thioglycolic acid;; | 100% |
With ammonium acetate; ammonia In nitric acid addition of NH4 benzoate at boiling heat, precipitation with NH3 solution at pH=1.0-1.5, even in presence of thioglycolic acid;; | 100% |
With ammonium acetate; ammonia In hydrogenchloride addition of NH4 benzoate at boiling heat, precipitation with NH3 solution at pH=1.0-1.5, even in presence of thioglycolic acid;; | 100% |
ammonium benzoate
Conditions | Yield |
---|---|
Stage #1: ammonium benzoate; (1aR,1bS,4aS,4bR,7aS,7bS)-3,3-Dimethyl-1-(toluene-4-sulfonyl)-hexahydro-2,4,5,7-tetraoxa-6-thia-1-aza-cyclopropa[e]-as-indacene 6,6-dioxide In N,N-dimethyl-formamide Stage #2: With sulfuric acid In tetrahydrofuran; water Further stages.; | 90% |
Conditions | Yield |
---|---|
In water dropwise addn. of a satd. aq. soln. of AgNO3 to an aq. soln. of ammonium benzoate; pptn., cooling in ice, filtration, washing (cold water, cold ethanol, ether), drying by suction; | 90% |
ammonium benzoate
Conditions | Yield |
---|---|
With titanium(IV) isopropylate In tetrahydrofuran for 28h; | 80% |
water
ammonium benzoate
trans-1,2-bis(pyridin-4-yl)ethene
acetone
Conditions | Yield |
---|---|
In water; acetone aq. soln. of NH4C6H5COO and Ni salt carefully layered by acetone soln. of C12H10N2; crystd. for a few d; elem. anal., detd. by TGA, powder XRD; | 77.2% |
Conditions | Yield |
---|---|
In water; acetone aq. soln. of Zn salt and benzoate was carefully layered with soln. of ligand in acetone for 1 mo; elem. anal.; | 72.8% |
Conditions | Yield |
---|---|
In methanol; dichloromethane MeOH soln. of NH4C6H5COO and Cu salt carefully layered by CH2Cl2 soln. of C12H10N2; crystd. for a few d; elem. anal., detd. by TGA, powder XRD; | 72.4% |
ammonium benzoate
tert-butyl-(2,2-dioxo-2λ6-[1,3,2]-dioxathiolan-4-ylmethoxy)dimethylsilane
[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] benzoate
Conditions | Yield |
---|---|
With sulfuric acid In dichloromethane 1) 60 deg C, 12 h, 2) 10 min; | 71% |
2-(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
ammonium benzoate
(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methyl benzoate
Conditions | Yield |
---|---|
In dimethyl sulfoxide | 71% |
Conditions | Yield |
---|---|
In ethanol; water Zn-compd. and C6H5COONH4 dissolved in H2O, layered with ethene-compd. inEtOH, stored for 10 d; elem. anal.; | 66.1% |
1,2-bis(4'-pyridyl)ethane
ammonium benzoate
[Zn2(O2CPh)4(1,2-bis(4-pyridyl)ethane)2]
Conditions | Yield |
---|---|
In methanol; water Zn(NO3)2 and C6H5COONH4 dissolved in H2O; MeOH soln. of 1,2-bis(4-pyridyl)ethane layered onto; crystd. after 5 d; elem. anal.; | 63.4% |
In ethanol; water Zn(NO3)2 and C6H5COONH4 dissolved in H2O; EtOH soln. of 1,2-bis(4-pyridyl)ethane layered onto; elem. anal.; |
Conditions | Yield |
---|---|
In ethanol; water aq. soln. of Co compd. and ligand layered with EtOH soln. of bpa (1:2:2 molar ratio); crystd. on storage for 1 wk, elem. anal.; | 59.3% |
Conditions | Yield |
---|---|
In water; acetonitrile Zn-compd. and C6H5COONH4 dissolved in H2O, layered with ethene-compd. inCH3CN, stored for 4 d; elem. anal.; | 54.4% |
2,3-diethynylquinoxaline
ammonium benzoate
[Zn2(benzoate)4(quinoxaline)2]
Conditions | Yield |
---|---|
In methanol; water aq. soln. of Zn salt and benzoate was carefully layered with soln. of ligand in MeOH for 1 mo; elem. anal.; | 50.5% |
Conditions | Yield |
---|---|
In methanol; water Mn(NO3)2 (0.125 mmol), C6H5COONH4 (0.25 mmol) and H2O (4 mmol) placed inscrew vial; soln. of 3,3'-dipicoylamine (0.25 mmol) in MeOH (4 ml) adde d; evapd. (2 wk); elem. anal.; | 49.1% |
ammonium benzoate
trans-1,2-bis(pyridin-4-yl)ethene
Conditions | Yield |
---|---|
In methanol; water aq. soln. of NH4C6H5COO and Mn salt carefully layered by MeOH soln. of C12H10N2; crystd. for 1 mo; elem. anal., detd. by TGA, powder XRD; | 43.2% |
Conditions | Yield |
---|---|
In water aq. soln. of Mn compd. and ligand layered with acetone soln. of bpa (1:2:2 molar ratio); crystd. on storage for 2 mo, elem. anal.; | 42.6% |
2,3-dimethylpyrazine
ammonium benzoate
[Zn3(benzoate)6(2,3-dimethylpyrazine)2]
Conditions | Yield |
---|---|
In water; acetone aq. soln. of Zn salt and benzoate was carefully layered with soln. of ligand in acetone for 1 mo; elem. anal.; | 42.2% |
Conditions | Yield |
---|---|
In ethanol; water Co(NO3)2, C6H5COONH4 dissolved in H2O; layered with EtOH soln. of 4,4'-bipyridine; crystd. by slow evapn. after 2 mo; elem. anal.; | 42.1% |
Conditions | Yield |
---|---|
In methanol; water Zn-compd. and C6H5COONH4 dissolved in H2O, layered with ethene-compd. inMeOH, stored for 10 d; elem. anal.; | 39.7% |
Conditions | Yield |
---|---|
In methanol; dichloromethane Zn(NO3)2 and C6H5COONH4 dissolved in MeOH; CH2Cl2 soln. of 1,2-bis(4-pyridyl)ethane layered onto; crystd. after 5 d; elem. anal.; | 38.9% |
In ethanol; water Zn(NO3)2 and C6H5COONH4 dissolved in H2O; EtOH soln. of 1,2-bis(4-pyridyl)ethane layered onto; elem. anal.; |
di(pyridin-2-yl)amine
ammonium benzoate
[Cd(2,2'-dipyridylamine)(benzoate)2]
Conditions | Yield |
---|---|
In water; acetone aq. Cd(NO3)2, ammonium benzoate layered with acetone/EtOH/MeOH soln. of 2,2'-dipyridylamine; crystd. in 3 wk; elem. anal.; | 34.7% |
Conditions | Yield |
---|---|
In water; acetone Zn(NO3)2, C6H5COONH4 dissolved in H2O; layered with acetone soln. of 4,4'-bipyridine; crystd. by slow evapn. after 2 mo; elem. anal.; | 33.6% |
Conditions | Yield |
---|---|
In methanol; water; acetone Zn-compd. and C6H5COONH4 dissolved in H2O, layered with ethene-compd. inacetone, MeOH and EtOH (2/2/2), stored for 10 d; elem. anal.; | 33.3% |
Conditions | Yield |
---|---|
In water; acetone Zn-compd. and C6H5COONH4 dissolved in H2O, layered with ethene-compd. inacetone, stored for 4 d; elem. anal.; | 32.6% |
Conditions | Yield |
---|---|
In methanol; water; acetone Zn-compd. and C6H5COONH4 dissolved in H2O, layered with ethene-compd. inacetone, MeOH and EtOH (2/2/2), stored for month; elem. anal.; | 32.6% |
benzoic acid 1-ethoxycarbonyl-2-oxopropyl ester
ammonium benzoate
Ethyl 4-methyl-2-phenyloxazole-5-carboxylate
Conditions | Yield |
---|---|
In acetic acid for 3h; Heating; | 32% |
Conditions | Yield |
---|---|
In ethanol; water Ni(NO3)2, C6H5COONH4 dissolved in H2O; layered with EtOH/MeOH/acetone soln. of 4,4'-bipyridine; crystd. by slow evapn. after a mo; elem. anal.; | 31% |
Conditions | Yield |
---|---|
In ethanol; water Mn(NO3)2 (0.125 mmol), C6H5COONH4 (0.25 mmol) and H2O (4 mmol) placed inscrew vial; soln. of 4,4'-dithiopyridine (0.25 mmol) in EtOH (4 ml) add ed; evapd. (2 wk); elem. anal.; | 30.5% |
Conditions | Yield |
---|---|
In methanol; ethanol; water aq. soln. of Ni compd. and ligand layered with acetone/MeOH/EtOH (1/1/1)soln. of bpa (1:2:2 molar ratio); crystd. on storage for 2 d, elem. anal.; | 30% |
The Ammonium benzoate, with the CAS registry number 1863-63-4, is also known as Benzoic acid ammonium salt. It is a white solid, is the ammonium salt of benzoic acid. It belongs to the product categories of Building Blocks; Carbonyl Compounds; Carboxylic Acid Salts; Chemical Synthesis; Organic Building Blocks. Its EINECS number is 217-468-9. This chemical's molecular formula is C7H9NO2 and molecular weight is 139.15. What's more, its systematic name is Ammonium benzoate. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices. This chemical is commonly used as industrial preservative and analytical reagent for various elements.
Physical properties of Ammonium benzoate are: (1)ACD/LogP: 1.895; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): -0.98; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 12.43; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 111.4 °C; (14)Enthalpy of Vaporization: 51.4 kJ/mol; (15)Boiling Point: 249.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0122 mmHg at 25°C.
Preparation: this chemical can be prepared by benzoic acid and ammonia water by heating.
Uses of Ammonium benzoate: it can be used to produce benzoic acid 5-benzyloxymethyl-4-hydroxy-5-methoxy-tetrahydro-furan-3-yl ester at the temperature of 80 °C. It will need solvent dimethylformamide with the reaction time of 24 hours. The yield is about 70%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)c1ccccc1.[NH4+]
(2)Std. InChI: InChI=1S/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3
(3)Std. InChIKey: VWSRWGFGAAKTQG-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 235mg/kg (235mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 75, 1986. |
rabbit | LDLo | intravenous | 400mg/kg (400mg/kg) | BEHAVIORAL: EXCITEMENT | Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 81, 1932. |
rat | LD50 | oral | 825mg/kg (825mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 75, 1986. |
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