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CAS No.: | 2100-31-4 |
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Name: | 2-Propoxybenzoic acid |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H12O3 |
Molecular Weight: | 180.203 |
Synonyms: | Benzoicacid, o-propoxy- (8CI);Salicylic acid propyl ether;o-Propoxybenzoic acid; |
EINECS: | 603-128-0 |
Density: | 1.133 g/cm3 |
Melting Point: | 35-37 °C |
Boiling Point: | 306.3 °C at 760 mmHg |
Flash Point: | 120 °C |
Hazard Symbols: | R36/37/38:; |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 46.53000 |
LogP: | 2.17360 |
2-propoxybenzoic acid propyl ester
2-propoxybenzoic acid
Conditions | Yield |
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With potassium tert-butylate In dimethyl sulfoxide at 0 - 30℃; | 95% |
Stage #1: 2-propoxybenzoic acid propyl ester With potassium tert-butylate In dimethyl sulfoxide at 70℃; for 2h; Stage #2: With hydrogenchloride; water In dimethyl sulfoxide at 0 - 10℃; | 80% |
2-allyloxybenzoic acid
2-propoxybenzoic acid
Conditions | Yield |
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Stage #1: 2-allyloxybenzoic acid With sodium hydroxide In water for 0.25h; Stage #2: With sodium tetrahydroborate In water at 20 - 60℃; | 90% |
methyl-2-propoxybenzoic acid
2-propoxybenzoic acid
Conditions | Yield |
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With sodium hydroxide | |
With sodium hydroxide | |
With sodium hydroxide In methanol for 2h; Heating; Yield given; |
2-propoxy-benzoic acid ethyl ester
2-propoxybenzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide | |
With sodium hydroxide |
Conditions | Yield |
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With propan-1-ol; potassium hydroxide im Druckrohr; |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: K2CO3, KI / acetone / 48 h / Heating 2: NaOH / methanol / 2 h / Heating View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: sodium ethylate 2: ethanolic NaOH-solution View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: potassium carbonate / acetone / 70 - 80 °C 2: potassium tert-butylate / dimethyl sulfoxide / 0 - 30 °C View Scheme |
Conditions | Yield |
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Stage #1: tert.-butylhydroperoxide; 2-propoxybenzoic acid In water; dimethyl sulfoxide Stage #2: In water; dimethyl sulfoxide at 100℃; for 20h; Sealed tube; | 96% |
2-propoxybenzoic acid
4-amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
1-Methyl-4-(2-n-propoxybenzamido)-3-n-propylpyrazole-5-carboxamide
Conditions | Yield |
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Stage #1: 2-propoxybenzoic acid With thionyl chloride In dichloromethane for 3h; Heating / reflux; Stage #2: 4-amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide With dmap; triethylamine In dichloromethane at 0℃; for 1h; | 92% |
With 2-(Dimethylamino)pyridine; thionyl chloride; triethylamine In dichloromethane |
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The Benzoic acid,2-propoxy-, with the CAS registry number 2100-31-4, is also known as 2-n-Propoxybenzoic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates. This chemical's molecular formula is C10H12O3 and molecular weight is 180.2. Its IUPAC name is called 2-propoxybenzoate. This chemical can be used for pharmaceutical intermediates and used in organic synthesis. What's more, you should keep the storage areas to avoid contact with oxidants, the container sealed, stored inside a sealed storage, a cool, dry place.
Physical properties of Benzoic acid,2-propoxy-: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.82; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 49.12 cm3; (14)Molar Volume: 158.9 cm3; (15)Surface Tension: 42.3 dyne/cm; (16)Density: 1.133 g/cm3; (17)Flash Point: 120 °C; (18)Enthalpy of Vaporization: 57.73 kJ/mol; (19)Boiling Point: 306.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00034 mmHg at 25°C.
Uses of Benzoic acid,2-propoxy-: it can be used to produce 2-(2-propoxy-phenyl)-3H-imidazo[4,5-b]pyridine by heating. This reaction will need reagent POCl3 with reaction time of 7 hours. The yield is about 69%.
When you are using this chemical, please be cautious about it as the following:
This chemical 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. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCOC1=CC=CC=C1C(=O)[O-]
(2)InChI: InChI=1S/C10H12O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)/p-1
(3)InChIKey: OXOWWPXTTOCKKU-UHFFFAOYSA-M