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Home > Encyclopedia > H-ACPC-OET HCL

H-ACPC-OET HCL

H-ACPC-OET HCL structure

H-ACPC-OET HCL 

structure
  • CAS No:

    42303-42-4

  • Formula:

    C6H12ClNO2

  • Chemical Name:

    H-ACPC-OET HCL

  • Synonyms:

    Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride;H-AC3C-OEt Hydrochloride;H-ACPC-OET hydrochloride;methyl 1-aminocyclopropanecarboxylate, HCl salt;Ethyl 1-aminocyclopropanecarboxylate hydrochloride≥ 99% (Assay);1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID ETHYL ESTER HCL;ethyle1-aminocyclopropanecarboxylate hydrochloride;1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID ETHYL ESTER HYDROCHLORIDE

  • Categories:

    Biochemical Engineering  >  Amino Acids and Derivatives

Description

White crystalline powder

H-ACPC-OET HCL Basic Attributes

165.62

151.040009

677920

DTXSID40327703

29224999

Characteristics

52.3

1.15300

White Crystalline Powder

gt. 110.0 and le 118.0 °C

159.7ºC at 760 mmHg

33.9ºC

Store at 0°C

Safety Information

NONH for all modes of transport

3

36/37/38-22

26-36-38-36/37-24/25-22-7/9-36/37/39

Xn

P264, P270, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, P501

H302-H315

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H-ACPC-OET HCL Use and Manufacturing

Thionyl chloride (150 mL, 2.056 mol) was added slowly below 0 °C to a suspension of 1- aminocyclopropanecarboxylic acid (100 g, 0.989 mol) in anhydrous ethanol (1 L). The mixture was stirred at 70 °C for 20 h. TLC (methanol, Thionyl chloride (150 mL, 2.056 mol) was added slowly below 0 °C to a suspension of 1- aminocyclopropanecarboxylic acid (100 g, 0.989 mol) in anhydrous ethanol (1 L). The mixture was stirred at 70 °C for 20 h. TLC (methanol, Rf = 0.4) showed that most of the starting material wasconsumed. Then the solution was concentrated to give 210 g of crude product. The residue was dissolved in water and adjusted to a pH between 9 and 10 with potassium carbonate. The aqueous layer was extracted with dichloromethane (1 L x 3). The combined organic layers were concentrated to dryness. The residue was dissolved in ethyl acetate (300 mL) and hydrochloride in ethyl acetate (250 mL, 4M) was added slowly to the solution below -30°C. It was stirred for 30 mm at 0°C. A solid precipitated and it was filtered under nitrogen atmosphere to give ethyl 1-aminocyclopropanecarboxylate hydrochloride (132 g, 80.6percent yield) as a white solid.The following ‘H-N MR is from the free amine.‘H-NMR (400MHz, chloroform-d, ): 6 [ppm] = 0.91-1.02 (m, 2H), 1.15-1.30 (m, 5H), 2.17 (s, 2H), 4.10 (d, 2H).Thionyl chloride (150 mL, 2.056 mol) was added slowly below 0 °C to a suspension of 1- aminocyclopropanecarboxylic acid (100 g, 0.989 mol) in anhydrous ethanol (1 L). The mixture was stirred at 70 °C for 20 h. TLC (methanol,

Computed Properties

Molecular Weight:165.62
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:165.0556563
Monoisotopic Mass:165.0556563
Topological Polar Surface Area:52.3
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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